CAS 1954693-22-1

(2E)-3-[4-(3-Methyl-2-buten-1-yl)-3-[(1-oxo-3-phenylpropyl)amino]phenyl]-2-propenoic acid

Description:

The chemical substance known as (2E)-3-[4-(3-Methyl-2-buten-1-yl)-3-[(1-oxo-3-phenylpropyl)amino]phenyl]-2-propenoic acid, with the CAS number 1954693-22-1, is a complex organic compound characterized by its unique structural features. It contains a propenoic acid moiety, which contributes to its potential reactivity and ability to participate in various chemical reactions, such as polymerization. The presence of a phenyl group and an amino group suggests that it may exhibit biological activity, possibly interacting with specific biological targets. Additionally, the compound features a branched alkyl chain, which can influence its solubility and lipophilicity. The overall structure indicates that it may have applications in medicinal chemistry or as a building block in organic synthesis. Its specific properties, such as melting point, boiling point, and solubility, would require experimental determination or literature reference for precise values. Overall, this compound exemplifies the complexity and diversity of organic molecules in chemical research.

Formula: C₂₃H₂₅NO₃

InChI: InChI=1S/C23H25NO3/c1-17(2)8-12-20-13-9-19(11-15-23(26)27)16-21(20)24-22(25)14-10-18-6-4-3-5-7-18/h3-9,11,13,15-16H,10,12,14H2,1-2H3,(H,24,25)(H,26,27)/b15-11+

InChI key: InChIKey=SMYHHZFAWOLAAX-RVDMUPIBSA-N

SMILES: N(C(CCC1=CC=CC=C1)=O)C2=C(CC=C(C)C)C=CC(/C=C/C(O)=O)=C2

Synonyms:

• 2-Propenoic acid, 3-[4-(3-methyl-2-buten-1-yl)-3-[(1-oxo-3-phenylpropyl)amino]phenyl]-, (2E)-
• (2E)-3-[4-(3-Methyl-2-buten-1-yl)-3-[(1-oxo-3-phenylpropyl)amino]phenyl]-2-propenoic acid
• (2E)-3-[4-(3-Methylbut-2-en-1-yl)-3-(3-phenylpropanamido)phenyl]prop-2-enoic acid

KV 37

CAS: 1954693-22-1

Inhibitor of AKR1C3 (type 5 17β-hydroxysteroid dehydrogenase)

Formula: C₂₃H₂₅NO₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 363.45 g/mol

Ref: 3D-BK168413