![[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate structure](/static/products/7442/744240-96-8.webp)
[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
TL;DR: [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 744240-96-8) is a chemical compound with molecular formula C16H14N4O4S and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate, [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C16H14N4O4S |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 1.7686 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.07358 |
| Heavy Atoms | 25 |
| Complexity | 994.96344 |
Chemical Identifiers
| CAS Number | 744240-96-8 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC3=C(C=C2)NC(=O)N3 |
Product Overview
[(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 744240-96-8), with molecular formula C16H14N4O4S and molecular weight 358.07 g/mol. IUPAC: [2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
Property Insights of [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
The XLogP value of 1.7686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate. Following Lipinski's Rule of Five, [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate has 3 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 [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The CAS number of [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 744240-96-8.
What is the molecular formula of [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular formula of [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is C16H14N4O4S.
What is the molecular weight of [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular weight of [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 358.07 g/mol.
Where can I buy [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
You can request a quote for [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)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 [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.