CAS 1396965-93-7

N-[(2,3-Dihydro-1,4-benzodioxin-6-yl)sulfonyl]valine

Description:

N-[(2,3-Dihydro-1,4-benzodioxin-6-yl)sulfonyl]valine is a chemical compound characterized by its unique structure, which includes a valine amino acid linked to a sulfonyl group and a 2,3-dihydro-1,4-benzodioxin moiety. This compound features a sulfonamide functional group, which is known for its biological activity, particularly in medicinal chemistry. The presence of the benzodioxin ring contributes to its potential pharmacological properties, possibly influencing its interaction with biological targets. The compound may exhibit solubility in polar solvents due to the presence of the sulfonyl group, while the hydrophobic benzodioxin structure may affect its overall lipophilicity. Its molecular structure suggests potential applications in drug development, particularly in areas targeting specific biological pathways. As with many sulfonamide derivatives, it may possess antibacterial or anti-inflammatory properties, although specific biological activities would require empirical investigation. Safety and handling precautions should be observed, as with all chemical substances, particularly those with potential biological activity.

Formula: C₁₃H₁₇NO₆S

InChI: InChI=1S/C13H17NO6S/c1-8(2)12(13(15)16)14-21(17,18)9-3-4-10-11(7-9)20-6-5-19-10/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,15,16)

InChI key: InChIKey=MPTAGPDKOCKSRA-UHFFFAOYSA-N

SMILES: S(NC(C(C)C)C(O)=O)(=O)(=O)C=1C=C2C(=CC1)OCCO2

Synonyms:

• Valine, N-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]-
• N-[(2,3-Dihydro-1,4-benzodioxin-6-yl)sulfonyl]valine

2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonamido)-3-methylbutanoic acid

CAS: 1396965-93-7

Versatile small molecule scaffold

Formula: C₁₃H₁₇NO₆S

Purity: Min. 95%

Molecular weight: 315.34 g/mol

Ref: 3D-WFC96593