3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine
TL;DR: 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine (CAS 329908-87-4) is a chemical compound with molecular formula C19H16N4O4S2 and molecular weight 428.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-[2-(5-cyano-2-methyl-6-methylsulfanyl-3-pyridinyl)-2-oxoethyl]sulfanyl-2-oxo-1H-pyridine-3-carboxylate
Also Known As: 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine, ethyl 5-cyano-6-({2-[5-cyano-2-methyl-6-(methylsulfanyl)pyridin-3-yl]-2-oxoethyl}sulfanyl)-2-oxo-1,2-dihydropyridine-3-carboxylate, ethyl 5-cyano-6-[2-(5-cyano-2-methyl-6-methylsulfanylpyridin-3-yl)-2-oxoethyl]sulfanyl-2-oxo-1H-pyridine-3-carboxylate
| Molecular Formula | C19H16N4O4S2 |
|---|---|
| Molecular Weight | 428.06 g/mol |
| LogP | 2.69528 |
| Topological Polar Surface Area | 136.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.0613 |
| Heavy Atoms | 29 |
| Complexity | 1112.9032 |
Chemical Identifiers
| CAS Number | 329908-87-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(NC1=O)SCC(=O)C2=C(N=C(C(=C2)C#N)SC)C)C#N |
Product Overview
3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine (CAS 329908-87-4), with molecular formula C19H16N4O4S2 and molecular weight 428.06 g/mol. IUPAC: ethyl 5-cyano-6-[2-(5-cyano-2-methyl-6-methylsulfanyl-3-pyridinyl)-2-oxoethyl]sulfanyl-2-oxo-1H-pyridine-3-carboxylate.
Chemical Property Profile of 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine
Property Insights of 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine
The XLogP value of 2.69528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine. The TPSA of 136.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine. Following Lipinski's Rule of Five, 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine has 1 hydrogen bond donor(s) and 9 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-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine?
The CAS number of 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine is 329908-87-4.
What is the molecular formula of 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine?
The molecular formula of 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine is C19H16N4O4S2.
What is the molecular weight of 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine?
The molecular weight of 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine is 428.06 g/mol.
Where can I buy 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine?
You can request a quote for 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-cyano-2-(3-cyano-6-methyl-2-methylthio-5-pyridylcarbonylmethylthio)-5-ethoxycarbonyl-6-hydroxypyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.