Prediction of the n-Octanol/Water Partition Coefficients of Basic Compounds Using Multi-Parameter QSRR Models Based on IS-RPLC Retention Behavior in a Wide pH Range.

ABSTRACT: The n-octanol-water partition coefficient (logP) is an important physicochemical parameter which describes the behavior of organic compounds. In this work, the apparent n-octanol/water partition coefficients (logD) of basic compounds were determined using ion-suppression reversed-phase liquid chromatography (IS-RPLC) on a silica-based C18 column. The quantitative structure-retention relationship (QSRR) models between logD and logk_w (logarithm of retention factor corresponding to 100% aqueous fraction of mobile phase) were established at pH 7.0-10.0. It was found that logD had a poor linear correlation with logk_w at pH 7.0 and pH 8.0 when strongly ionized compounds were included in the model compounds. However, th

SUBMITTER: Qiao JQ 

PROVIDER: S-EPMC10005301 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature