CAS 942222-78-8
:(2S)-3-acetyl-1-(4-chloro-2-fluoro-phenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one
Description:
The chemical substance known as (2S)-3-acetyl-1-(4-chloro-2-fluoro-phenyl)-2-cyclohexyl-4-hydroxy-2H-pyrrol-5-one, with the CAS number 942222-78-8, is a complex organic compound characterized by its unique structural features. It contains a pyrrolone core, which is a five-membered heterocyclic ring featuring both nitrogen and carbon atoms. The presence of an acetyl group and a hydroxy group contributes to its reactivity and potential biological activity. The compound also includes a cyclohexyl group, which adds to its hydrophobic character, and a substituted phenyl ring with both chloro and fluoro substituents, indicating potential for varied interactions in biological systems. These substituents can influence the compound's lipophilicity, solubility, and overall pharmacokinetic properties. The stereochemistry at the 2-position (S configuration) is crucial for its biological activity, as it may affect how the molecule interacts with biological targets. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals.
Formula:C18H19ClFNO3
InChI:InChI=1/C18H19ClFNO3/c1-10(22)15-16(11-5-3-2-4-6-11)21(18(24)17(15)23)14-8-7-12(19)9-13(14)20/h7-9,11,16,23H,2-6H2,1H3/t16-/m0/s1
SMILES:CC(=O)C1=C(C(=O)N(c2ccc(cc2F)Cl)[C@H]1C1CCCCC1)O
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