title: [Application of reversed-phase ion-pair chromatography for universal estimation of octanol-water partition coefficients of acid, basic and amphoteric drugs].
abstract: This paper is to establish a reversed-phase ion-pair chromatography (RP-IPC) method for universal estimation of the octanol/water partition coefficients (logP) of a wide range of structurally diverse compounds including acidic, basic, neutral and amphoteric species. The retention factors corresponding to 100% water (logk(w)) were derived from the linear part of the logk'/phi relationship, using at least four isocratic logk' values containing different organic compositions. The logk(w) parameters obtained were close to the corresponding logP values obtained with the standard "shake flask" methods. The mean deviation for test drugs is 0.31. RP-IPC with trifluoroacetic acid as non classic ion-pair agents can be applicable to determine the logP values for a variety of drug-like molecules with increased accuracy.
authors.affiliation: Beijing Institute of Pharmacology and Toxicology, Academy of Military Medical Sciences, Beijing 100850, China. zwhw797@gmail.com
authors.forename: Hui
authors.initials: H
authors.lastname: Zhu
authors.forename: Ri-Fang
authors.initials: RF
authors.lastname: Yang
authors.forename: Liu-Hong
authors.initials: LH
authors.lastname: Yun
authors.forename: Yu
authors.initials: Y
authors.lastname: Jiang
authors.forename: Jin
authors.initials: J
authors.lastname: Li
mesh_terms: D020003:1-Octanol / Q000737:chemistry; D056148:Chromatography, Reverse-Phase / Q000379:methods*; D006863:Hydrogen-Ion Concentration; D000442:Octanols / Q000737:chemistry*; D014269:Trifluoroacetic Acid; D014867:Water / Q000737:chemistry*
chemical_list: D000442:Octanols; D014867:Water; D014269:Trifluoroacetic Acid; D020003:1-Octanol