Shin, Dong-Min et al. published their research in Food Chemistry in 2021 | CAS: 31566-31-1

Glyceryl monostearate (cas: 31566-31-1) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Recommanded Product: Glyceryl monostearate

Physicochemical properties and oxidative stability of duck fat-added margarine for reducing the use of fully hydrogenated soybean oil was written by Shin, Dong-Min;Yune, Jong Hyeok;Kim, Tae-Kyung;Kim, Yea Ji;Kwon, Hyuk Cheol;Kim, Do Hyun;Jeong, Chang Hee;Choi, Yun-Sang;Han, Sung Gu. And the article was included in Food Chemistry in 2021.Recommanded Product: Glyceryl monostearate The following contents are mentioned in the article:

Soybean oil (SBO) and fully hydrogenated soybean oil (FHSBO) have been used for margarine production However, SBO-based margarine requires a considerable amount of trans fatty acid-containing FHSBO due to its low m.p. We aimed to reduce the FHSBO content in margarine by employing duck fat, which has a higher m.p. than SBO. Margarines were prepared using different ratios of duck fat and reduced levels of SBO and FHSBO. Physicochem., sensory, and oxidative properties of the margarines were evaluated. The quality characteristics of margarine improved when duck fat replaced SBO and FHSBO. Furthermore, the lipid oxidation parameters were lower in duck fat-added margarines than the control during storage at 60°C for 28 days. The margarine containing 80% duck fat showed the best sensory properties. Collectively, duck fat can replace SBO in margarine while reducing the use of FHSBO and maintaining desirable physicochem. properties, oxidative stability, and sensory properties. This study involved multiple reactions and reactants, such as Glyceryl monostearate (cas: 31566-31-1Recommanded Product: Glyceryl monostearate).

Glyceryl monostearate (cas: 31566-31-1) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Recommanded Product: Glyceryl monostearate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Cuccioloni, Massimiliano et al. published their research in Scientific Reports in 2020 | CAS: 604-69-3

(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 604-69-3) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.HPLC of Formula: 604-69-3

Structure/activity virtual screening and in vitro testing of small molecule inhibitors of 8-hydroxy-5-deazaflavin:NADPH oxidoreductase from gut methanogenic bacteria was written by Cuccioloni, Massimiliano;Bonfili, Laura;Cecarini, Valentina;Cocchioni, Filippo;Petrelli, Dezemona;Crotti, Elena;Zanchi, Raffaella;Eleuteri, Anna Maria;Angeletti, Mauro. And the article was included in Scientific Reports in 2020.HPLC of Formula: 604-69-3 The following contents are mentioned in the article:

Virtual screening techniques and in vitro binding/inhibitory assays were used to search within a set of more than 8,000 naturally occurring small ligands for candidate inhibitors of 8-hydroxy-5-deazaflavin:NADPH oxidoreductase (FNO) from Methanobrevibacter smithii, the enzyme that catalyzes the bidirectional electron transfer between NADP+ and F420H2 during the intestinal production of CH4 from CO2. In silico screening using mol. docking classified the ligand-enzyme complexes in the range between – 4.9 and – 10.5 kcal/mol. Mol. flexibility, the number of H-bond acceptors and donors, the extent of hydrophobic interactions, and the exposure to the solvent were the major discriminants in determining the affinity of the ligands for FNO. In vitro studies on a group of these ligands selected from the most populated/representative clusters provided quant. kinetic, equilibrium, and structural information on ligands behavior, in optimal agreement with the predictive computational results. This study involved multiple reactions and reactants, such as (2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 604-69-3HPLC of Formula: 604-69-3).

(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 604-69-3) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.HPLC of Formula: 604-69-3

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Ou, Yujia et al. published their research in International Journal of Biological Macromolecules in 2022 | CAS: 31566-31-1

Glyceryl monostearate (cas: 31566-31-1) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Recommanded Product: 31566-31-1

Insights into the formation and digestive properties of lotus seed starch-glycerin monostearate complexes formed by freeze-thaw pretreatment and microfluidization was written by Ou, Yujia;Wei, Zhixi;Jiang, Xiangfu;Wu, Guoyan;Xie, Wen;Zheng, Baodong;Zeng, Hongliang. And the article was included in International Journal of Biological Macromolecules in 2022.Recommanded Product: 31566-31-1 The following contents are mentioned in the article:

The objective of this paper was to investigate the formation and digestive properties of lotus seed starch-glycerin monostearate complexes (LSG) formed by freeze-thaw pretreatment and microfluidization. The results showed that the preparation of LSG with six freeze-thaw cycles at 60 MPa had the highest complex index (69.92%). The formation of LSG led to the conversion of the crystalline pattern of lotus seed starch from C-type to V-type and increased the proportion of the microcrystalline region. In addition, the digestive results indicated that LSG had a high resistance to digestive enzymes, which was conducive to increasing the content of resistant starch. Based on the above investigation, the formation and digestive properties showed that the appropriate number of freeze-thaw cycles of pretreatment could facilitate the complexation of starch and lipid under low-pressure microfluidization, which made for the directional regulation of helical conformation and anti-digestion. This study involved multiple reactions and reactants, such as Glyceryl monostearate (cas: 31566-31-1Recommanded Product: 31566-31-1).

Glyceryl monostearate (cas: 31566-31-1) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Recommanded Product: 31566-31-1

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Song, Xue-Chao et al. published their research in Journal of Agricultural and Food Chemistry in 2022 | CAS: 31566-31-1

Glyceryl monostearate (cas: 31566-31-1) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Recommanded Product: 31566-31-1

Prediction of Collision Cross Section Values: Application to Non-Intentionally Added Substance Identification in Food Contact Materials was written by Song, Xue-Chao;Dreolin, Nicola;Damiani, Tito;Canellas, Elena;Nerin, Cristina. And the article was included in Journal of Agricultural and Food Chemistry in 2022.Recommanded Product: 31566-31-1 The following contents are mentioned in the article:

The synthetic chems. in food contact materials can migrate into food and endanger human health. In this study, the traveling wave collision cross section in nitrogen values of more than 400 chems. in food contact materials were exptl. derived by traveling wave ion mobility spectrometry. A support vector machine-based collision cross section (CCS) prediction model was developed based on CCS values of food contact chems. and a series of mol. descriptors. More than 92% of protonated and 81% of sodiated adducts showed a relative deviation below 5%. Median relative errors for protonated and sodiated mols. were 1.50 and 1.82%, resp. The model was then applied to the structural annotation of oligomers migrating from polyamide adhesives. The identification confidence of 11 oligomers was improved by the direct comparison of the exptl. data with the predicted CCS values. Finally, the challenges and opportunities of current machine-learning models on CCS prediction were also discussed. This study involved multiple reactions and reactants, such as Glyceryl monostearate (cas: 31566-31-1Recommanded Product: 31566-31-1).

Glyceryl monostearate (cas: 31566-31-1) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Recommanded Product: 31566-31-1

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Song, Xue-Chao et al. published their research in Journal of Agricultural and Food Chemistry in 2022 | CAS: 1731-94-8

Methyl nonadecanoate (cas: 1731-94-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Reference of 1731-94-8

Prediction of Collision Cross Section Values: Application to Non-Intentionally Added Substance Identification in Food Contact Materials was written by Song, Xue-Chao;Dreolin, Nicola;Damiani, Tito;Canellas, Elena;Nerin, Cristina. And the article was included in Journal of Agricultural and Food Chemistry in 2022.Reference of 1731-94-8 The following contents are mentioned in the article:

The synthetic chems. in food contact materials can migrate into food and endanger human health. In this study, the traveling wave collision cross section in nitrogen values of more than 400 chems. in food contact materials were exptl. derived by traveling wave ion mobility spectrometry. A support vector machine-based collision cross section (CCS) prediction model was developed based on CCS values of food contact chems. and a series of mol. descriptors. More than 92% of protonated and 81% of sodiated adducts showed a relative deviation below 5%. Median relative errors for protonated and sodiated mols. were 1.50 and 1.82%, resp. The model was then applied to the structural annotation of oligomers migrating from polyamide adhesives. The identification confidence of 11 oligomers was improved by the direct comparison of the exptl. data with the predicted CCS values. Finally, the challenges and opportunities of current machine-learning models on CCS prediction were also discussed. This study involved multiple reactions and reactants, such as Methyl nonadecanoate (cas: 1731-94-8Reference of 1731-94-8).

Methyl nonadecanoate (cas: 1731-94-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Reference of 1731-94-8

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Hribernik, Nives et al. published their research in Organic & Biomolecular Chemistry in 2021 | CAS: 604-69-3

(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 604-69-3) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Computed Properties of C16H22O11

One pot synthesis of thio-glycosides via aziridine opening reactions was written by Hribernik, Nives;Tamburrini, Alice;Falletta, Ermelinda;Bernardi, Anna. And the article was included in Organic & Biomolecular Chemistry in 2021.Computed Properties of C16H22O11 The following contents are mentioned in the article:

A one-pot aziridine opening reaction by glycosyl thiols generated in situ from the corresponding anomeric thio-acetates affords thio-glycosides with a pseudo-disaccharide structure and an N-linked tether. The scope of the one-pot aziridine opening reaction was explored on a series of mono- and disaccharides, creating a class of pseudo-glycosidic compounds with potential for further functionalization. Unexpected anomerization of glycosyl thiols was observed under the reaction conditions and the influence of temperature, base and solvent on the isomerization was investigated. Single isomers were obtained in good to acceptable yields for mannose, rhamnose and sialic acid derivatives The class of thio-glycomimetics synthesized can potentially be recognized by various lectins, while presenting hydrolytic and enzymic stability. The nitrogen functionality incorporated in the glycomimetics can be exploited for further functionalization, including tethering to linkers, scaffolds or peptide residues. This study involved multiple reactions and reactants, such as (2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 604-69-3Computed Properties of C16H22O11).

(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 604-69-3) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Computed Properties of C16H22O11

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Hansen, Thomas et al. published their research in Angewandte Chemie, International Edition in 2021 | CAS: 604-69-3

(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 604-69-3) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Safety of (2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate

Reactivity-Stereoselectivity Mapping for the Assembly of Mycobacterium marinum Lipooligosaccharides was written by Hansen, Thomas;Ofman, Tim P.;Vlaming, Joey G. C.;Gagarinov, Ivan A.;van Beek, Jessey;Gote, Tessa A.;Tichem, Jacoba M.;Ruijgrok, Gijs;Overkleeft, Herman S.;Filippov, Dmitri V.;van der Marel, Gijsbert A.;Codee, Jeroen D. C.. And the article was included in Angewandte Chemie, International Edition in 2021.Safety of (2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate The following contents are mentioned in the article:

The assembly of complex bacterial glycans presenting rare structural motifs and cis-glycosidic linkages is significantly obstructed by the lack of knowledge of the reactivity of the constituting building blocks and the stereoselectivity of the reactions in which they partake. We here report a strategy to map the reactivity of carbohydrate building blocks and apply it to understand the reactivity of the bacterial sugar, caryophyllose, a rare C12-monosaccharide, containing a characteristic tetra-substituted stereo-center. We mapped reactivity-stereoselectivity relationships for caryophyllose donor and acceptor glycosides by a systematic series of glycosylations in combination with the detection and characterization of different reactive intermediates using exptl. and computational techniques. The insights garnered from these studies enabled the rational design of building blocks with the required properties to assemble mycobacterial lipooligosaccharide fragments of M. marinum. This study involved multiple reactions and reactants, such as (2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 604-69-3Safety of (2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate).

(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate (cas: 604-69-3) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Safety of (2S,3R,4S,5R,6R)-6-(Acetoxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Liu, Xiangyang et al. published their research in Fluid Phase Equilibria in 2019 | CAS: 1731-94-8

Methyl nonadecanoate (cas: 1731-94-8) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Electric Literature of C20H40O2

Experimental and correlational study of isobaric molar heat capacities of fatty acid esters: Ethyl nonanoate and ethyl dodecanoate was written by Liu, Xiangyang;Zhu, Chenyang;Yang, Feng;Su, Chao;He, Maogang. And the article was included in Fluid Phase Equilibria in 2019.Electric Literature of C20H40O2 The following contents are mentioned in the article:

An exptl. study on the isobaric molar heat capacities of Et nonanoate and Et dodecanoate was performed at temperatures between 303 K and 393 K and at pressures between 0.1 MPa and 25.2 MPa. An increase of isobaric molar heat capacity with temperature increase was observed, and temperature was found to have a greater effect on isobaric molar heat capacity than pressure. Then the isobaric molar heat capacity data of 18 saturated fatty acid Me and Et esters in literature were selected, to get a general correlation for the isobaric molar heat capacity of saturated fatty acid alkyl esters. The average absolute relative deviation and the maximum deviation of the present correlation from exptl. data are lower than 0.70% and 3.82%, resp. At last, to test the predictive ability of the proposed correlation, the heat capacities of Et nonanoate and Et dodecanoate were calculated The average absolute relative deviation and the maximum deviation from our exptl. results are 0.88% and 2.10%, resp. This study involved multiple reactions and reactants, such as Methyl nonadecanoate (cas: 1731-94-8Electric Literature of C20H40O2).

Methyl nonadecanoate (cas: 1731-94-8) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Electric Literature of C20H40O2

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Sharma, Sanjay et al. published their research in Materials Technology (Abingdon, United Kingdom) in 2022 | CAS: 31566-31-1

Glyceryl monostearate (cas: 31566-31-1) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Name: Glyceryl monostearate

Design and development of solid lipid nanoparticles of tazarotene for the treatment of psoriasis and acne: a quality by design approach was written by Sharma, Sanjay;Kanugo, Abhishek;Gaikwad, Juilee. And the article was included in Materials Technology (Abingdon, United Kingdom) in 2022.Name: Glyceryl monostearate The following contents are mentioned in the article:

Tazarotene is a third-generation retinoid applied topically for the treatment of psoriasis and acne. But its applications are limited due to its poor solubility and bioavailability. The current investigation aimed at the development of solid lipid nanoparticles (SLN) of Tazarotene for effective topical delivery. Depending on the solubility, stability, and compatibility lipids and surfactants were selected and further optimized. SLN of Tazarotene was developed by hot-homogenisation followed by probe sonication method. Preformulation studies were carried out and compatibility was confirmed with FTIR. The design of the expert, Box Behnken model was implemented and the surface response curve was plotted. Glyceryl monostearate was found to be the best lipid and a combination of tween-span as a surfactant for SLNs. The entrapment efficiency was found as 59% and the particle size of 470 nm was reported. The optimized batch showed the zeta potential of -10.3 Mv with a drug release of 59% to 77% after 6 h. This study involved multiple reactions and reactants, such as Glyceryl monostearate (cas: 31566-31-1Name: Glyceryl monostearate).

Glyceryl monostearate (cas: 31566-31-1) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Name: Glyceryl monostearate

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Murcia-Soler, Miguel et al. published their research in Journal of Chemical Information and Computer Sciences in 2004 | CAS: 5003-48-5

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Formula: C17H15NO5

Artificial Neural Networks and Linear Discriminant Analysis: A Valuable Combination in the Selection of New Antibacterial Compounds was written by Murcia-Soler, Miguel;Perez-Gimenez, Facundo;Garcia-March, Francisco J.;Salabert-Salvador, Ma Teresa;Diaz-Villanueva, Wladimiro;Castro-Bleda, Maria Jose;Villanueva-Pareja, Angel. And the article was included in Journal of Chemical Information and Computer Sciences in 2004.Formula: C17H15NO5 The following contents are mentioned in the article:

A set of topol. descriptors has been used to discriminate between antibacterial and nonantibacterial drugs. Topol. descriptors are simple integers calculated from the mol. structure represented in SMILES format. The methods used for antibacterial activity discrimination were linear discriminant anal. (LDA) and artificial neural networks of a multilayer perceptron (MLP) type. The following plot frequency distribution diagrams were used: a function of the number of drugs within a value interval of the discriminant function and the output value of the neural network vs. these values. Pharmacol. distribution diagrams (PDD) were used as a visualizing technique for the identification of antibacterial agents. The results confirmed the discriminative capacity of the topol. descriptors proposed. The combined use of LDA and MLP in the guided search and the selection of new structures with theor. antibacterial activity proved highly effective, as shown by the in vitro activity and toxicity assays conducted. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Formula: C17H15NO5).

4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Formula: C17H15NO5

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics