Ethyl 4-(azepane-1-sulfonamido)benzoate
TL;DR: Ethyl 4-(azepane-1-sulfonamido)benzoate (CAS 825607-41-8) is a chemical compound with molecular formula C15H22N2O4S and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(azepan-1-ylsulfonylamino)benzoate
Also Known As: ethyl 4-(azepane-1-sulfonamido)benzoate, ethyl 4-(azepan-1-ylsulfonylamino)benzoate, ethyl 4-[(1-azepanylsulfonyl)amino]benzoate, ethyl 4-[(azepane-1-sulfonyl)amino]benzoate, VU0187290-4
| Molecular Formula | C15H22N2O4S |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 2.396 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.13004 |
| Heavy Atoms | 22 |
| Complexity | 590.4734 |
Chemical Identifiers
| CAS Number | 825607-41-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)N2CCCCCC2 |
Product Overview
Ethyl 4-(azepane-1-sulfonamido)benzoate (CAS 825607-41-8), with molecular formula C15H22N2O4S and molecular weight 326.13 g/mol. IUPAC: ethyl 4-(azepan-1-ylsulfonylamino)benzoate.
Chemical Property Profile of Ethyl 4-(azepane-1-sulfonamido)benzoate
Property Insights of Ethyl 4-(azepane-1-sulfonamido)benzoate
The XLogP value of 2.396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(azepane-1-sulfonamido)benzoate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(azepane-1-sulfonamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(azepane-1-sulfonamido)benzoate has 1 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 Ethyl 4-(azepane-1-sulfonamido)benzoate?
The CAS number of Ethyl 4-(azepane-1-sulfonamido)benzoate is 825607-41-8.
What is the molecular formula of Ethyl 4-(azepane-1-sulfonamido)benzoate?
The molecular formula of Ethyl 4-(azepane-1-sulfonamido)benzoate is C15H22N2O4S.
What is the molecular weight of Ethyl 4-(azepane-1-sulfonamido)benzoate?
The molecular weight of Ethyl 4-(azepane-1-sulfonamido)benzoate is 326.13 g/mol.
Where can I buy Ethyl 4-(azepane-1-sulfonamido)benzoate?
You can request a quote for Ethyl 4-(azepane-1-sulfonamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(azepane-1-sulfonamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(azepane-1-sulfonamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.