Prediction of the lipophilicity of nine new synthesized selenazoly and three aroyl-hydrazinoselenazoles derivatives by reversed-phase high performance thin-layer chromatography

J Chromatogr Sci. 2012 Mar;50(3):157-61. doi: 10.1093/chromsci/bmr034.

Abstract

Using reversed-phase high-performance thin-layer chromatography and a methanol-water mixture as the mobile phase, the lipophilicity of 12 new synthesized derivatives is studied. The first eight compounds have as a basic chemical structure aryliden-hydrazino-selenazoles, and the second group of the three compounds belongs to aroyl-hydrazinoselenazoles. The linear correlation between R(Mw) and the methanol-water ratios showed high values for the correlation coefficient. The chromatographic hydrophobic index is determined by using the ratio -R(Mw)/S, and the obtained values ranged between 99 and 73. A good linear correlation is obtained between R(Mw) and the slope. The log P values are calculated using ACD/Labs Software. The matrices are formed with R(Mw) and log P and are subjected to a principal component analysis (PCA). The best way to extract information from PCA is graphically, by plotting the obtained matrices. By analyzing the scores, the compounds can be grouped as follows: a group containing nine compounds, and a second one containing three compounds. Each group of compounds has the same basic chemical structure.

MeSH terms

  • Azoles / chemistry*
  • Azoles / isolation & purification
  • Chromatography, Reverse-Phase / methods*
  • Chromatography, Thin Layer / methods*
  • Hydrazines / chemistry*
  • Hydrazines / isolation & purification
  • Hydrophobic and Hydrophilic Interactions
  • Linear Models
  • Methanol / chemistry
  • Organoselenium Compounds / chemistry*
  • Organoselenium Compounds / isolation & purification
  • Principal Component Analysis

Substances

  • Azoles
  • Hydrazines
  • Organoselenium Compounds
  • Methanol