6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide
TL;DR: 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide (CAS 477296-16-5) is a chemical compound with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxamide
Also Known As: 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide, 6-[(2-chlorobenzyl)sulfanyl]-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide, 6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxamide, 6-(2-Chloro-benzylsulfanyl)-5-cyano-2-oxo-1,2,3,4-tetrahydro-pyridine-3-carboxylic acid amide
| Molecular Formula | C14H12ClN3O2S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.03387 |
| Heavy Atoms | 21 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 477296-16-5 |
|---|---|
| SMILES | C1C(C(=O)NC(=C1C#N)SCC2=CC=CC=C2Cl)C(=O)N |
| InChIKey | QQYJFXUUQQFTNZ-UHFFFAOYSA-N |
Product Overview
6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide (CAS 477296-16-5), with molecular formula C14H12ClN3O2S and molecular weight 321.03 g/mol. IUPAC: 6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxamide.
Chemical Property Profile of 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide
Property Insights of 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide. Following Lipinski's Rule of Five, 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide has 2 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 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide?
The CAS number of 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide is 477296-16-5.
What is the molecular formula of 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide?
The molecular formula of 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide is C14H12ClN3O2S.
What is the molecular weight of 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide?
The molecular weight of 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide is 321.03 g/mol.
Where can I buy 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide?
You can request a quote for 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-((2-chlorobenzyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.