Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Traditional Factorization of Lipophilicity Only Valid for Neutral Species

Traditional Factorization of Lipophilicity (Only Valid for Neutral Species) [Pg.322]

Log P factorization (the decomposition of an object into a product of other objects, or factors, which when multiplied together give the original) demonstrates that lipophilicity is governed by the laws of chemistry (see Section 12.1.1) and thus provides a qualitative chemical insight into partitioning data [8]. [Pg.322]

Abraham s equation (Eq. 4) is the most common tool to factorize log (called simply log P in Eq. 4)  [Pg.322]

As the solute descriptors (E, S, A, B and V) represent the solute influence on various solute-solvent phase interachons, the regression coefficients e, s, a, h and V correspond to the complementary effect of the solvent phases on these interactions. As an example, consider the product aA in Eq. (4). Since A is the H-bond acidity of the solute, a is the H-bond basicity of the system. In other words, the intermolecular forces discussed in Sections 12.1.1.2 and 12.1.1.3 are present in all Abraham s log P factorization equations, with the exception of those interactions involving ions. This is the reason why Abraham s equahons are valid for neutral species only. [Pg.323]

As previously mentioned the regression coefficients c, s, a, b and v vary with the parhtioning system inveshgated (e.g. a is 0.034 for octanol-water and -3.45 for dodecane-water as reported by ADME Boxes software version 3.5.), whereas E, S, [Pg.323]




SEARCH



Neutral species

Of neutralization

© 2024 chempedia.info