CAS 926204-58-2

3-[(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]propanoic acid

Description:

3-[(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]propanoic acid, with the CAS number 926204-58-2, is a chemical compound characterized by its unique structure that includes a benzodioxepin moiety and a propanoic acid functional group. This compound features a sulfonyl group, which enhances its reactivity and potential biological activity. The presence of the benzodioxepin structure suggests that it may exhibit interesting pharmacological properties, possibly acting as a scaffold for drug development. The propanoic acid component contributes to its acidity and solubility in polar solvents. The compound's molecular interactions may involve hydrogen bonding and sulfonamide-related interactions, which could influence its behavior in biological systems. Overall, this compound's characteristics make it a subject of interest in medicinal chemistry, particularly in the exploration of new therapeutic agents. However, specific details regarding its physical properties, such as melting point, boiling point, and solubility, would require empirical data for comprehensive understanding.

Formula: C₁₂H₁₄O₆S

InChI: InChI=1S/C12H14O6S/c13-12(14)4-7-19(15,16)9-2-3-10-11(8-9)18-6-1-5-17-10/h2-3,8H,1,4-7H2,(H,13,14)

InChI key: InChIKey=ZUBRSJTYKYZRJW-UHFFFAOYSA-N

SMILES: S(CCC(O)=O)(=O)(=O)C=1C=C2C(=CC1)OCCCO2

Synonyms:

• 3-[(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]propanoic acid
• Propanoic acid, 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-

3-(3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonyl)propanoic acid

CAS: 926204-58-2

Versatile small molecule scaffold

Formula: C₁₂H₁₄O₆S

Purity: Min. 95%

Molecular weight: 286.3 g/mol

Ref: 3D-BMB20458