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The lipophilicity of new two series of anticancer active 10-substituted 1,6- and 3,6-diazaphenothiazines has been investigated using reversed-phase thin-layer chromatography. Their lipophilicity ( R  M0  and log  P  TLC ) was determined with mixtures of acetone and Tris buffer as mobile phases. The relative lipophilicity parameter  R  M0  and specific hydrophobic surface area  b  were significantly intercorrelated showing congeneric classes of diazaphenothiazines. The parameter  R  M0  was transformed into parameter log  P  TLC  by use of the calibration curve. The parameter log  P  TLC  was compared with computationally calculated lipophilic parameters log  P  calcd . The lipophilicity was discussed with the structure elements and was correlated with molecular descriptors, ADME properties and  in vitro  anticancer activities.

Lipophilicity of New Anticancer 1,6- and 3,6-diazaphenothiazines by of Use RP TLC and Different Computational Methods †