CAS 844856-85-5

(1R,2R)-2-(4-methylsulfanylbenzoyl)cyclohexane-1-carboxylic acid

Description:

The chemical substance known as (1R,2R)-2-(4-methylsulfanylbenzoyl)cyclohexane-1-carboxylic acid, with the CAS number 844856-85-5, is a chiral compound characterized by its specific stereochemistry, indicated by the (1R,2R) configuration. This compound features a cyclohexane ring substituted with a carboxylic acid group and a benzoyl moiety that includes a methylsulfanyl group, which contributes to its unique properties. The presence of the methylsulfanyl group enhances its potential for biological activity, making it of interest in pharmaceutical applications. The compound is likely to exhibit moderate solubility in organic solvents and may have limited solubility in water due to the hydrophobic nature of the cyclohexane and aromatic components. Its stereochemistry may influence its interactions with biological targets, affecting its efficacy and safety profile. As with many organic acids, it may exhibit acidic behavior in solution, participating in proton transfer reactions. Overall, this compound's structural features suggest potential utility in medicinal chemistry and related fields.

Formula: C₁₅H₁₈O₃S

InChI: InChI=1/C15H18O3S/c1-19-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15(17)18/h6-9,12-13H,2-5H2,1H3,(H,17,18)/t12-,13-/m1/s1

SMILES: CSc1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)O