3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid
TL;DR: 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid (CAS 328032-91-3) is a chemical compound with molecular formula C13H16ClNO4S and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylsulfonyl)-4-chlorobenzoic acid
Also Known As: 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid, 3-(azepan-1-ylsulfonyl)-4-chlorobenzoic acid, 3-(azepane-1-sulfonyl)-4-chlorobenzoic acid, 3-(azepan-1-ylsulfonyl)-4-chlorobenzoicacid, 4-Chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoic acid
| Molecular Formula | C13H16ClNO4S |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 2.6029 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.04886 |
| Heavy Atoms | 20 |
| Complexity | 606.79724 |
Chemical Identifiers
| CAS Number | 328032-91-3 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid (CAS 328032-91-3), with molecular formula C13H16ClNO4S and molecular weight 317.05 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-4-chlorobenzoic acid.
Chemical Property Profile of 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid
Property Insights of 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid
The XLogP value of 2.6029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid. Following Lipinski's Rule of Five, 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid has 1 hydrogen bond donor(s) and 3 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-(Azepane-1-sulfonyl)-4-chloro-benzoic acid?
The CAS number of 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid is 328032-91-3.
What is the molecular formula of 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid?
The molecular formula of 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid is C13H16ClNO4S.
What is the molecular weight of 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid?
The molecular weight of 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid is 317.05 g/mol.
Where can I buy 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid?
You can request a quote for 3-(Azepane-1-sulfonyl)-4-chloro-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-(Azepane-1-sulfonyl)-4-chloro-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Azepane-1-sulfonyl)-4-chloro-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.