![({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate structure](/static/products/7318/731830-99-2.webp)
({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
TL;DR: ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 731830-99-2) is a chemical compound with molecular formula C21H24N4O5S2 and molecular weight 476.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate, [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C21H24N4O5S2 |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | 2.8498 |
| Topological Polar Surface Area | 126.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.1188 |
| Heavy Atoms | 32 |
| Complexity | 1118.678 |
Chemical Identifiers
| CAS Number | 731830-99-2 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3 |
Product Overview
({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 731830-99-2), with molecular formula C21H24N4O5S2 and molecular weight 476.12 g/mol. IUPAC: [2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
Property Insights of ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate
The XLogP value of 2.8498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate. The TPSA of 126.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate. Following Lipinski's Rule of Five, ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate has 2 hydrogen bond donor(s) and 8 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 ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The CAS number of ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 731830-99-2.
What is the molecular formula of ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular formula of ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate is C21H24N4O5S2.
What is the molecular weight of ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular weight of ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 476.12 g/mol.
Where can I buy ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
You can request a quote for ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ({3-[(azepan-2-ylidene)sulfamoyl]phenyl}carbamoyl)methyl 2-(methylsulfanyl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.