![3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid structure](/static/products/7902/790272-30-9.webp)
3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid
TL;DR: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid (CAS 790272-30-9) is a chemical compound with molecular formula C16H15NO6S and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid
Also Known As: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid, 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)benzoic acid, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid, 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)benzoicacid, 3-(3,4-Dihydro-2H-benzo[b][1,4]dioxepine-7-sulfonamido)benzoic Acid
| Molecular Formula | C16H15NO6S |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | 2.3469 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.062 |
| Heavy Atoms | 24 |
| Complexity | 877.8864 |
Chemical Identifiers
| CAS Number | 790272-30-9 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C(=O)O)OC1 |
Product Overview
3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid (CAS 790272-30-9), with molecular formula C16H15NO6S and molecular weight 349.06 g/mol. IUPAC: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoic acid.
Chemical Property Profile of 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid
Property Insights of 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid
The XLogP value of 2.3469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid?
The CAS number of 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid is 790272-30-9.
What is the molecular formula of 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid?
The molecular formula of 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid is C16H15NO6S.
What is the molecular weight of 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid?
The molecular weight of 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid is 349.06 g/mol.
Where can I buy 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid?
You can request a quote for 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.