Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate
TL;DR: Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate (CAS 94360-76-6) is a chemical compound with molecular formula C23H20N2O2S and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetate
Also Known As: BAS 01248107, Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate, ethyl 2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetate, (3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-acetic acid ethyl ester, ethyl 2-[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridylthio]acetate
| Molecular Formula | C23H20N2O2S |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 5.2509 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.12454 |
| Heavy Atoms | 28 |
| Complexity | 1009.26746 |
Chemical Identifiers
| CAS Number | 94360-76-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)C)C3=CC=CC=C3)C#N |
Product Overview
Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate (CAS 94360-76-6), with molecular formula C23H20N2O2S and molecular weight 388.12 g/mol. IUPAC: ethyl 2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate
Property Insights of Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate
The XLogP value of 5.2509 indicates that Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate?
The CAS number of Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate is 94360-76-6.
What is the molecular formula of Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate is C23H20N2O2S.
What is the molecular weight of Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate is 388.12 g/mol.
Where can I buy Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate 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-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((3-cyano-4-phenyl-6-(p-tolyl)pyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.