![2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid structure](/static/products/3125/312502-59-3.webp)
2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid
TL;DR: 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid (CAS 312502-59-3) is a chemical compound with molecular formula C20H21ClN2O5S and molecular weight 436.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]amino]benzoic acid
Also Known As: BAS 03276050, 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid, 2-[[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]amino]benzoic acid, 2-(5-(azepan-1-ylsulfonyl)-2-chlorobenzamido)benzoic acid, A1906/0080085
| Molecular Formula | C20H21ClN2O5S |
|---|---|
| Molecular Weight | 436.09 g/mol |
| LogP | 3.8552 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.08597 |
| Heavy Atoms | 29 |
| Complexity | 1030.9171 |
Chemical Identifiers
| CAS Number | 312502-59-3 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC=C3C(=O)O |
Product Overview
2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid (CAS 312502-59-3), with molecular formula C20H21ClN2O5S and molecular weight 436.09 g/mol. IUPAC: 2-[[5-(azepan-1-ylsulfonyl)-2-chlorobenzoyl]amino]benzoic acid.
Chemical Property Profile of 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid
Property Insights of 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid
The XLogP value of 3.8552 indicates that 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-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-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid. Following Lipinski's Rule of Five, 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-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-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid?
The CAS number of 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid is 312502-59-3.
What is the molecular formula of 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid?
The molecular formula of 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid is C20H21ClN2O5S.
What is the molecular weight of 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid?
The molecular weight of 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid is 436.09 g/mol.
Where can I buy 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid?
You can request a quote for 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-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-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(Azepane-1-sulfonyl)-2-chloro-benzoylamino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.