N-(4-sulfamoylphenyl)azepane-1-carbothioamide
TL;DR: N-(4-sulfamoylphenyl)azepane-1-carbothioamide (CAS 588715-27-9) is a chemical compound with molecular formula C13H19N3O2S2 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-sulfamoylphenyl)azepane-1-carbothioamide
Also Known As: N-(4-sulfamoylphenyl)azepane-1-carbothioamide, 4-[(azaperhydroepinylthioxomethyl)amino]benzenesulfonamide
| Molecular Formula | C13H19N3O2S2 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 1.9068 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.09186 |
| Heavy Atoms | 20 |
| Complexity | 561.784 |
Chemical Identifiers
| CAS Number | 588715-27-9 |
|---|---|
| SMILES | C1CCCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
N-(4-sulfamoylphenyl)azepane-1-carbothioamide (CAS 588715-27-9), with molecular formula C13H19N3O2S2 and molecular weight 313.09 g/mol. IUPAC: N-(4-sulfamoylphenyl)azepane-1-carbothioamide.
Chemical Property Profile of N-(4-sulfamoylphenyl)azepane-1-carbothioamide
Property Insights of N-(4-sulfamoylphenyl)azepane-1-carbothioamide
The XLogP value of 1.9068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-sulfamoylphenyl)azepane-1-carbothioamide. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-sulfamoylphenyl)azepane-1-carbothioamide. Following Lipinski's Rule of Five, N-(4-sulfamoylphenyl)azepane-1-carbothioamide has 2 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 N-(4-sulfamoylphenyl)azepane-1-carbothioamide?
The CAS number of N-(4-sulfamoylphenyl)azepane-1-carbothioamide is 588715-27-9.
What is the molecular formula of N-(4-sulfamoylphenyl)azepane-1-carbothioamide?
The molecular formula of N-(4-sulfamoylphenyl)azepane-1-carbothioamide is C13H19N3O2S2.
What is the molecular weight of N-(4-sulfamoylphenyl)azepane-1-carbothioamide?
The molecular weight of N-(4-sulfamoylphenyl)azepane-1-carbothioamide is 313.09 g/mol.
Where can I buy N-(4-sulfamoylphenyl)azepane-1-carbothioamide?
You can request a quote for N-(4-sulfamoylphenyl)azepane-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-sulfamoylphenyl)azepane-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-sulfamoylphenyl)azepane-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.