5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid
TL;DR: 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid (CAS 352668-17-8) 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.
5-(azepan-1-ylsulfonyl)-2-chlorobenzoic acid
Also Known As: BAS 07021667, 5-(1-azepanylsulfonyl)-2-chlorobenzoic acid, 5-(azepan-1-ylsulfonyl)-2-chlorobenzoic acid, 2-Chloro-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoic acid, 5-(Azepane-1-sulfonyl)-2-chloro-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 | 352668-17-8 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O |
Product Overview
5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid (CAS 352668-17-8), with molecular formula C13H16ClNO4S and molecular weight 317.05 g/mol. IUPAC: 5-(azepan-1-ylsulfonyl)-2-chlorobenzoic acid.
Chemical Property Profile of 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid
Property Insights of 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid
The XLogP value of 2.6029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid. Following Lipinski's Rule of Five, 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic 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 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid?
The CAS number of 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid is 352668-17-8.
What is the molecular formula of 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid?
The molecular formula of 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid is C13H16ClNO4S.
What is the molecular weight of 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid?
The molecular weight of 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid is 317.05 g/mol.
Where can I buy 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid?
You can request a quote for 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Azepan-1-ylsulfonyl)-2-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.