![Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate structure](/static/products/3374/337499-89-5.webp)
Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate
TL;DR: Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate (CAS 337499-89-5) is a chemical compound with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methylpyridine-3-carboxylate
Also Known As: BAS 01369574, ETHYL 5-CYANO-6-[(CYANOMETHYL)SULFANYL]-2-METHYLPYRIDINE-3-CARBOXYLATE, ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylnicotinate, 5-Cyano-6-cyanomethylsulfanyl-2-methyl-nicotinic acid ethyl ester, ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methylpyridine-3-carboxylate
| Molecular Formula | C12H11N3O2S |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 2.05408 |
| Topological Polar Surface Area | 86.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.0572 |
| Heavy Atoms | 18 |
| Complexity | 543.4791 |
Chemical Identifiers
| CAS Number | 337499-89-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC#N)C |
Product Overview
Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate (CAS 337499-89-5), with molecular formula C12H11N3O2S and molecular weight 261.06 g/mol. IUPAC: ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate
Property Insights of Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate
The XLogP value of 2.05408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate. The TPSA of 86.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate 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 Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate?
The CAS number of Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate is 337499-89-5.
What is the molecular formula of Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate?
The molecular formula of Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate is C12H11N3O2S.
What is the molecular weight of Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate?
The molecular weight of Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate is 261.06 g/mol.
Where can I buy Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate?
You can request a quote for Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.