In an article, author is Tot, Kristina, once mentioned the application of 5061-21-2, Category: Tetrahydrofurans, Name is 2-Bromo-4-butanolide, molecular formula is C4H5BrO2, molecular weight is 164.9853, MDL number is MFCD00005387, category is Tetrahydrofurans. Now introduce a scientific discovery about this category.
A comparative study of chromatographic lipophilicity and bioactivity parameters of selected spirohydantoins
In this study, lipophilicity of 21 cycloalkylspiro-5-hidantoins was assessed. The overall goal of lipophilicity evaluation is preliminary investigation which should result in a decrease of the traditionally high attrition rates for compounds entering clinical trials. Lipophilicity assessment was done by reversed-phase thin-layer chromatography and in silico methods. Chromatographic analyses were performed on C-18 modified thin-layer of silica gel with a two-component mobile phase consisting of water and organic solvent (acetonitrile, acetone, dioxane, or tetrahydrofuran) in different ratios. The chromatographic lipophilicities (R (M) (0)) were discussed and compared with computational log Ps calculated with various algorithms as well as in silico ADMET descriptors using linear regression and multivariate approach (hierarchical cluster analysis and principal component analysis). A high correlation was obtained between R (M) (0) values and calculated log P indicating a strong relationship between the variables. Multivariate data analysis enabled the comparison of the chemical structures, lipophilicity, pharmacokinetic predictors and toxicity of the investigated compounds.
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Reference:
Tetrahydrofuran – Wikipedia,
,Tetrahydrofuran | (CH2)3CH2O – PubChem