Rapid method for the estimation of octanol/water partition coefficient (log P(oct)) from gradient RP-HPLC retention and a hydrogen bond acidity term (zetaalpha(2)(H))

K Valko; C My Du; C Bevan; D P Reynolds; M H Abraham

doi:10.2174/0929867013372643

Rapid method for the estimation of octanol/water partition coefficient (log P(oct)) from gradient RP-HPLC retention and a hydrogen bond acidity term (zetaalpha(2)(H))

Curr Med Chem. 2001 Jul;8(9):1137-46. doi: 10.2174/0929867013372643.

Authors

K Valko¹, C My Du, C Bevan, D P Reynolds, M H Abraham

Affiliation

¹ Hit Generation Sciences and Analytical Technologies, GlaxoWellcome Medicines Research Centre, Stevenage, Herts, SG1 2NY, United Kingdom.

PMID: 11472245
DOI: 10.2174/0929867013372643

Abstract

We propose a rapid method for the measurement of octanol/water partition coefficients (log P(oct)) via fast gradient reversed phase retention and the calculation of the hydrogen bond acidity of the compounds. The cycle time of the generic gradient HPLC method is 5 minutes. The general solvation equation obtained for the log Poct values and the fast gradient Chromatographic Hydrophobicity Indices with acetonitrile (CHI(ACN)) and methanol

Publication types

Review

MeSH terms

Chemical Phenomena
Chemistry, Physical
Chromatography, High Pressure Liquid / methods
Hydrogen Bonding
Octanols / chemistry*
Solubility
Water / chemistry*

Substances

Octanols
Water