![2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate structure](/static/products/6464/646455-58-5.webp)
2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate
TL;DR: 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate (CAS 646455-58-5) is a chemical compound with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-carboxylate
Also Known As: 2-{[5-cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate, ethyl 5-cyano-6-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-carboxylate, 2-{[5-cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]sulfanyl}pyridin-1-ium-1-olate, Ethyl 5-cyano-6-methyl-2-[(1-oxo-1lambda~5~-pyridin-2-yl)sulfanyl]pyridine-3-carboxylate
| Molecular Formula | C15H13N3O3S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.223 |
| Topological Polar Surface Area | 89.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.06775 |
| Heavy Atoms | 22 |
| Complexity | 756.1833 |
Chemical Identifiers
| CAS Number | 646455-58-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)C)SC2=CC=CC=[N+]2[O-] |
Product Overview
2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate (CAS 646455-58-5), with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol. IUPAC: ethyl 5-cyano-6-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate
Property Insights of 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate
The XLogP value of 2.223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate. The TPSA of 89.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate. Following Lipinski's Rule of Five, 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate has 0 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-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate?
The CAS number of 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate is 646455-58-5.
What is the molecular formula of 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate?
The molecular formula of 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate is C15H13N3O3S.
What is the molecular weight of 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate?
The molecular weight of 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate is 315.07 g/mol.
Where can I buy 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate?
You can request a quote for 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-Cyano-3-(ethoxycarbonyl)-6-methylpyridin-2-yl]thio}pyridinium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.