4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride
TL;DR: 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride (CAS 728864-68-4) is a chemical compound with molecular formula C13H17ClN2O3S and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepane-1-carbonylamino)benzenesulfonyl chloride
Also Known As: 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride, 4-[(Azepane-1-carbonyl)amino]benzenesulfonyl chloride, 4-(azepane-1-carbonylamino)benzenesulfonyl Chloride, 4-[(azepane-1-carbonyl)amino]benzene-1-sulfonyl chloride, 4-[(azepane-1-carbonyl)-amino]-benzenesulfonyl chloride
| Molecular Formula | C13H17ClN2O3S |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 3.022 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.06485 |
| Heavy Atoms | 20 |
| Complexity | 563.784 |
Chemical Identifiers
| CAS Number | 728864-68-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)Cl |
Product Overview
4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride (CAS 728864-68-4), with molecular formula C13H17ClN2O3S and molecular weight 316.06 g/mol. IUPAC: 4-(azepane-1-carbonylamino)benzenesulfonyl chloride.
Chemical Property Profile of 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride
Property Insights of 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride
The XLogP value of 3.022 indicates that 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride. Following Lipinski's Rule of Five, 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride 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 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride?
The CAS number of 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride is 728864-68-4.
What is the molecular formula of 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride?
The molecular formula of 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride is C13H17ClN2O3S.
What is the molecular weight of 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride?
The molecular weight of 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride is 316.06 g/mol.
Where can I buy 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride?
You can request a quote for 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepane-1-carboxamido)benzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.