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A New Straightforward Method for Lipophilicity logP Measurement using 19F NMR Spectroscopy
Published on: January 30, 2019
Heterocycles 51: Liphophilicity investigation of some thiazole chalcones and aurones by experimental and theoretical
Fana-Maria Coman1, Denisa Leonte1, Alexandra Toma2
1Department of Organic Chemistry, Faculty of Pharmacy, "Iuliu Haţieganu" University of Medicine and Pharmacy, Cluj-Napoca, Romania.
Abstract:
Reversed-phase thin-layer chromatography and reversed-phase high-performance liquid chromatography were used for lipophilicity determination of a library of 30 thiazole chalcones and aurones previously synthetized in our laboratory. The experimental lipophilicity data have been compared with theoretical lipophilicity parameters estimated by various computational methods. Good correlations between the experimental and calculated lipophilicity parameters have been found for both investigated classes of compounds. Correlations between the lipophilicity of the thiazole chalcones and aurones and their antiproliferative activity were discussed. The methodologies and data gathered in this study will contribute to the lipophilicity studies of chalcones and aurones derivatives, two important classes of compounds in medicinal chemistry.
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