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Título:	Critical comparison of shake-flask, potentiometric and chromatographic methods for lipophilicity evaluation (log Po/w) of neutral, acidic, basic, amphoteric, and zwitterionic drugs
Autor/a:	Port, Ariadna; Bordas, Magda; Enrech, Raquel; Pascual, Rosalía; Rosés Pascual, Martí; Ràfols Llach, Clara; Subirats i Vila, Xavier; Bosch, Elisabeth
Otros autores:	Universitat de Barcelona
Abstract:	In the present study three different procedures have been compared for the determination of the lipophilicity of the unionized species (log Po/w) of neutral, acidic, basic, amphoteric, and zwitterionic drugs. Shake-flask, potentiometric and chromatographic approaches have been assayed in a set of 66 representative compounds in different phases of advanced development. An excellent equivalence has been found between log Po/w values obtained by shake-flask and potentiometry, while the chromatographic approach is less accurate but very convenient for screening purposes when a high-throughput is required. In the case of zwitterionic and amphoteric compounds, either for shake-flask and chromatographic methods, the pH has to be accurately selected in order to ensure the compound to be in its neutral form.
Materia(s):	-Lipofília -Cromatografia de líquids -Potenciòmetres -Concentració dels ions d'hidrogen -Lipophilicity -Liquid chromatography -Potentiometer -Hydrogen-ion concentration
Derechos:	cc-by-nc-nd (c) Elsevier B.V., 2018 http://creativecommons.org/licenses/by-nc-nd/3.0/es
Tipo de documento:	Artículo Artículo - Versión aceptada
Editor:	Elsevier B.V.
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