![2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid structure](/static/products/3147/314766-79-5.webp)
2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid
TL;DR: 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid (CAS 314766-79-5) is a chemical compound with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]benzoic acid
Also Known As: 2-{[4-(1-azepanylsulfonyl)anilino]carbonyl}benzoic acid, BAS 01110283, 2-((4-(Azepan-1-ylsulfonyl)phenyl)carbamoyl)benzoic acid, 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]benzoic acid, N-[4-(Azepane-1-sulfonyl)-phenyl]-phthalamic acid
| Molecular Formula | C20H22N2O5S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 3.2018 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.12494 |
| Heavy Atoms | 28 |
| Complexity | 962.3455 |
Chemical Identifiers
| CAS Number | 314766-79-5 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid (CAS 314766-79-5), with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol. IUPAC: 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamoyl]benzoic acid.
Chemical Property Profile of 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid
Property Insights of 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid
The XLogP value of 3.2018 indicates that 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid has 2 hydrogen bond donor(s) and 4 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 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid?
The CAS number of 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid is 314766-79-5.
What is the molecular formula of 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid?
The molecular formula of 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid is C20H22N2O5S.
What is the molecular weight of 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid?
The molecular weight of 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid is 402.12 g/mol.
Where can I buy 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid?
You can request a quote for 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(1-Azepanylsulfonyl)anilino]carbonyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.