Partition coefficients are a key physicochemical characteristic used in determining various pharmacokinetic parameters important in drug development. Many direct and indirect methods to measure partition coefficients have been reported but the spread of values reported for some compounds demonstrates the need to develop new approaches to measuring this important parameter. Herein we report on a simple and efficient method for the determination of partition and distribution coefficients (log P and log D7.4) using 1H NMR spectroscopy combined with time domain complete reduction to amplitude-frequency tables (CRAFT) analysis. Partition coefficients measured using this approach for a variety of pharmaceutical compounds gave values that are in excellent agreement with those reported in the literature.

Determination of partition and distribution coefficients using 1H NMR spectroscopy time domain Complete Reduction to Amplitude-Frequency Table (CRAFT) analysis

253rd National Meeting (2017)

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