Estimation of Maximum Transdermal Flux of Nonionized Xenobiotics from Basic Physicochemical Determinants was written by Milewski, Mikolaj;Stinchcomb, Audra L.. And the article was included in Molecular Pharmaceutics in 2012.Safety of Ethyl 3-ethoxypropanoate The following contents are mentioned in the article:
An ability to estimate the maximum flux of a xenobiotic across skin is desirable from the perspective of both drug delivery and toxicol. While there is an abundance of math. models describing the estimation of drug permeability coefficients, there are relatively few that focus on the maximum flux. This article reports and evaluates a simple and easy-to-use predictive model for the estimation of maximum transdermal flux of xenobiotics based on three common mol. descriptors: logarithm of octanol-water partition coefficient, mol. weight and m.p. The use of all three can be justified on the theor. basis of their influence on the solute aqueous solubility and the partitioning into the stratum corneum lipid domain. The model explains 81% of the variability in the permeation data set composed of 208 entries and can be used to obtain a quick estimate of maximum transdermal flux when exptl. data is not readily available. This study involved multiple reactions and reactants, such as Ethyl 3-ethoxypropanoate (cas: 763-69-9Safety of Ethyl 3-ethoxypropanoate).
Ethyl 3-ethoxypropanoate (cas: 763-69-9) 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. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Safety of Ethyl 3-ethoxypropanoate
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics