Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate
TL;DR: Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate (CAS 118948-02-0) is a chemical compound with molecular formula C15H13N3O2S and molecular weight 299.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetate
Also Known As: BAS 07415536, ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate, ethyl [(5-cyano-2,3'-bipyridin-6-yl)thio]acetate, ethyl 2-({5-cyano-[2,3'-bipyridine]-6-yl}sulfanyl)acetate, ethyl [(3-cyano-6,3'-bipyridin-2-yl)sulfanyl]acetate
Technical Specifications
| Molecular Formula | C15H13N3O2S |
| Molecular Weight | 299.07285 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.07285 Da |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
| SMILES | CCOC(=O)CSC1=C(C=CC(=N1)C2=CN=CC=C2)C#N |
| InChIKey | WVPKEYQYFBTNPC-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate
Property Insights of Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate 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
What is the CAS number of Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate?
The CAS number of Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate is 118948-02-0.
What is the molecular formula of Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate?
The molecular formula of Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate is C15H13N3O2S.
What is the molecular weight of Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate?
The molecular weight of Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate is 299.07285 g/mol.
Where can I buy Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate?
You can request a quote for Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.