Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate
TL;DR: Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate (CAS 370076-18-9) is a chemical compound with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]acetate
Also Known As: ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate, ethyl 2-((5-cyano-[2,4'-bipyridin]-6-yl)thio)acetate, 2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]thio]acetic acid ethyl ester, ethyl 2-(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanylethanoate, 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]acetic acid ethyl ester
| Molecular Formula | C15H13N3O2S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.07285 |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 370076-18-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C=CC(=N1)C2=CC=NC=C2)C#N |
| InChIKey | PSOFEUJECPFMAT-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate (CAS 370076-18-9), with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol. IUPAC: ethyl 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate
Property Insights of Ethyl 2-(3-cyano-6-pyridin-4-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-4-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-4-ylpyridin-2-yl)sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-(3-cyano-6-pyridin-4-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
Frequently Asked Questions
What is the CAS number of Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate?
The CAS number of Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate is 370076-18-9.
What is the molecular formula of Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate?
The molecular formula of Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate is C15H13N3O2S.
What is the molecular weight of Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate?
The molecular weight of Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate is 299.07 g/mol.
Where can I buy Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate?
You can request a quote for Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate 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-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.