A practical deuterium-free NMR method for the rapid determination of 1-octanol/water partition coefficients of pharmaceutical agents

A simple and rapid NMR method is described to determine the log P of pharmaceutical agents. This method is highly versatile and efficient, because it does not require the use of deuterated solvents or the addition of any internal/external standards to the sample. We demonstrate that log P can be accurately measured using NMR for pharmaceutical agents with known log P values. Our proposed method is made possible by the combination of state-of-the-art NMR techniques including the solvent concentration reference and robust solvent suppressions. (C) 2010 Elsevier Ltd. All rights reserved.