![Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate structure](/static/products/6926/6926-98-3.webp)
Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate
TL;DR: Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate (CAS 6926-98-3) is a chemical compound with molecular formula C25H28N2O5S and molecular weight 468.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-(4-ethoxycarbonylphenyl)-2-methylpyridine-3-carboxylate
Also Known As: Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate, ethyl 4-[2-(3,3-dimethyl-2-oxobutylthio)-3-cyano-5-(ethoxycarbonyl)-6-methyl-4 -pyridyl]benzoate, ethyl 5-cyano-6-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-(4-ethoxycarbonylphenyl)-2-methylpyridine-3-carboxylate
| Molecular Formula | C25H28N2O5S |
|---|---|
| Molecular Weight | 468.17 g/mol |
| LogP | 4.9894 |
| Topological Polar Surface Area | 106.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.1719 |
| Heavy Atoms | 33 |
| Complexity | 1095.7511 |
Chemical Identifiers
| CAS Number | 6926-98-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)OCC)C)SCC(=O)C(C)(C)C)C#N |
Product Overview
Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate (CAS 6926-98-3), with molecular formula C25H28N2O5S and molecular weight 468.17 g/mol. IUPAC: ethyl 5-cyano-6-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-(4-ethoxycarbonylphenyl)-2-methylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate
Property Insights of Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate
The XLogP value of 4.9894 indicates that Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate has 0 hydrogen bond donor(s) and 8 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-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate?
The CAS number of Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate is 6926-98-3.
What is the molecular formula of Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate?
The molecular formula of Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate is C25H28N2O5S.
What is the molecular weight of Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate?
The molecular weight of Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate is 468.17 g/mol.
Where can I buy Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate?
You can request a quote for Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-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-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-6-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-[4-(ethoxycarbonyl)phenyl]-2-methylpyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.