The Hidden Crux of Correctly Determining Octanol-Water Partition Coefficients.

ABSTRACT: The partitioning of molecules between an aqueous and an organic medium is of major interest for pharmaceutical development and the chemical industry. It characterizes the impact of substances to the environment and to humans, e.g., their accumulation in living organisms. It is usually quantified in terms of the octanol-water partition coefficient K_OW of these substances. Although this is a clearly defined thermodynamic property, different experimental approaches exist for its estimation. Using active pharmaceutical ingredients (APIs) as examples, we demonstrate the large scatter in experimentally determined partition coefficients reported in the literature. This is especially serious for weak bases or weak acids, which account for around 95% of all APIs. In some cases, re

SUBMITTER: Fritschka E 

PROVIDER: S-EPMC12326361 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature