Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate
TL;DR: Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate (CAS 332375-88-9) is a chemical compound with molecular formula C26H26N2O3S and molecular weight 446.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]butanoate
Also Known As: BAS 01516468, Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate, ethyl 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl]sulfanylbutanoate, ethyl 2-[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridylthio]butanoate, Ethyl2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate
| Molecular Formula | C26H26N2O3S |
|---|---|
| Molecular Weight | 446.17 g/mol |
| LogP | 6.11978 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.1664 |
| Heavy Atoms | 32 |
| Complexity | 1092.55 |
Chemical Identifiers
| CAS Number | 332375-88-9 |
|---|---|
| SMILES | CCC(C(=O)OCC)SC1=C(C(=CC(=N1)C2=CC=C(C=C2)OCC)C3=CC=CC=C3)C#N |
Product Overview
Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate (CAS 332375-88-9), with molecular formula C26H26N2O3S and molecular weight 446.17 g/mol. IUPAC: ethyl 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl]butanoate.
Chemical Property Profile of Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate
Property Insights of Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate
The XLogP value of 6.11978 indicates that Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate. Following Lipinski's Rule of Five, Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate has 0 hydrogen bond donor(s) and 6 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-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate?
The CAS number of Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate is 332375-88-9.
What is the molecular formula of Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate?
The molecular formula of Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate is C26H26N2O3S.
What is the molecular weight of Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate?
The molecular weight of Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate is 446.17 g/mol.
Where can I buy Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate?
You can request a quote for Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate 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-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((3-cyano-6-(4-ethoxyphenyl)-4-phenylpyridin-2-yl)thio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.