Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate
TL;DR: Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate (CAS 438605-84-6) is a chemical compound with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]propanoate
Also Known As: ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate, ethyl 2-(3-cyano-5,6-dimethyl-2-pyridylthio)propanoate, ethyl 2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]propanoate, ethyl 2-((3-cyano-5,6-dimethylpyridin-2-yl)thio)propanoate, ethyl 2-[(3-cyano-5,6-dimethylpyridin-2-yl)sulfanyl]propanoate
| Molecular Formula | C13H16N2O2S |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.61382 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.09326 |
| Heavy Atoms | 18 |
| Complexity | 494.5 |
Chemical Identifiers
| CAS Number | 438605-84-6 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=C(C=C(C(=N1)C)C)C#N |
Product Overview
Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate (CAS 438605-84-6), with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol. IUPAC: ethyl 2-[(3-cyano-5,6-dimethyl-2-pyridinyl)sulfanyl]propanoate.
Chemical Property Profile of Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate
Property Insights of Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate
The XLogP value of 2.61382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate. Following Lipinski's Rule of Five, Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate has 0 hydrogen bond donor(s) and 5 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 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate?
The CAS number of Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate is 438605-84-6.
What is the molecular formula of Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate?
The molecular formula of Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate is C13H16N2O2S.
What is the molecular weight of Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate?
The molecular weight of Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate is 264.09 g/mol.
Where can I buy Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate?
You can request a quote for Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-cyano-5,6-dimethylpyridin-2-yl)sulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.