Calculating the Solubilities of Drugs and Drug-Like Compounds in Octanol

Doaa Alantary, Samuel H Yalkowsky

Research output: Contribution to journalArticle

2 Scopus citations

Abstract

A modification of the Van't Hoff equation is used to predict the solubility of organic compounds in dry octanol. The new equation describes a linear relationship between the logarithm of the solubility of a solute in octanol to its melting temperature. More than 620 experimentally measured octanol solubilities, collected from the literature, are used to validate the equation without using any regression or fitting. The average absolute error of the prediction is 0.66 log units.

Original languageEnglish (US)
Pages (from-to)2770-2773
Number of pages4
JournalJournal of Pharmaceutical Sciences
Volume105
Issue number9
DOIs
StatePublished - Sep 1 2016

Keywords

  • permeability
  • physicochemical properties
  • QSPR
  • solubility
  • structure-property relationship (SPR)

ASJC Scopus subject areas

  • Pharmaceutical Science

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