Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate
TL;DR: Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate (CAS 290299-60-4) is a chemical compound with molecular formula C15H18N2O3S and molecular weight 306.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-3-oxobutanoate
Also Known As: A0369/0017035, ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate, 4-(3-Cyano-6-ethyl-5-methyl-pyridin-2-ylsulfanyl)-3-oxo-butyric acid ethyl ester, ethyl 4-(3-cyano-6-ethyl-5-methyl(2-pyridylthio))-3-oxobutanoate, ethyl 4-((3-cyano-6-ethyl-5-methylpyridin-2-yl)thio)-3-oxobutanoate
| Molecular Formula | C15H18N2O3S |
|---|---|
| Molecular Weight | 306.10 g/mol |
| LogP | 2.4385 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 306.10382 |
| Heavy Atoms | 21 |
| Complexity | 579.01685 |
Chemical Identifiers
| CAS Number | 290299-60-4 |
|---|---|
| SMILES | CCC1=NC(=C(C=C1C)C#N)SCC(=O)CC(=O)OCC |
Product Overview
Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate (CAS 290299-60-4), with molecular formula C15H18N2O3S and molecular weight 306.10 g/mol. IUPAC: ethyl 4-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate
Property Insights of Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate
The XLogP value of 2.4385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate 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 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate?
The CAS number of Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate is 290299-60-4.
What is the molecular formula of Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate?
The molecular formula of Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate is C15H18N2O3S.
What is the molecular weight of Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate?
The molecular weight of Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate is 306.10 g/mol.
Where can I buy Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate?
You can request a quote for Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.