4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
TL;DR: 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide (CAS 852712-48-2) is a chemical compound with molecular formula C21H26N2O6S2 and molecular weight 466.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
Also Known As: 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide, 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxy-phenyl)benzamide, 4-(azepane-1-sulfonyl)-N-[5-(ethanesulfonyl)-2-hydroxyphenyl]benzamide
| Molecular Formula | C21H26N2O6S2 |
|---|---|
| Molecular Weight | 466.12 g/mol |
| LogP | 3.0028 |
| Topological Polar Surface Area | 120.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.12323 |
| Heavy Atoms | 31 |
| Complexity | 1150.8562 |
Chemical Identifiers
| CAS Number | 852712-48-2 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 |
Product Overview
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide (CAS 852712-48-2), with molecular formula C21H26N2O6S2 and molecular weight 466.12 g/mol. IUPAC: 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide.
Chemical Property Profile of 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
Property Insights of 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
The XLogP value of 3.0028 indicates that 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide. Following Lipinski's Rule of Five, 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide has 2 hydrogen bond donor(s) and 6 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 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The CAS number of 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide is 852712-48-2.
What is the molecular formula of 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The molecular formula of 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide is C21H26N2O6S2.
What is the molecular weight of 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
The molecular weight of 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide is 466.12 g/mol.
Where can I buy 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
You can request a quote for 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.