ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate
TL;DR: ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate (CAS 369606-78-0) is a chemical compound with molecular formula C24H22N2O5S2 and molecular weight 482.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-3-oxobutanoate
Also Known As: ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate, ethyl 4-[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanyl-3-oxobutanoate, ethyl 4-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-(2-thienyl)-2-pyridinyl]sulfanyl}-3-oxobutanoate, ethyl 4-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
| Molecular Formula | C24H22N2O5S2 |
|---|---|
| Molecular Weight | 482.10 g/mol |
| LogP | 4.98038 |
| Topological Polar Surface Area | 98.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 482.09702 |
| Heavy Atoms | 33 |
| Complexity | 1186.3055 |
Chemical Identifiers
| CAS Number | 369606-78-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC)C#N |
Product Overview
ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate (CAS 369606-78-0), with molecular formula C24H22N2O5S2 and molecular weight 482.10 g/mol. IUPAC: ethyl 4-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate
Property Insights of ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate
The XLogP value of 4.98038 indicates that ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.51 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate has 0 hydrogen bond donor(s) and 9 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 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate?
The CAS number of ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate is 369606-78-0.
What is the molecular formula of ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate?
The molecular formula of ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate is C24H22N2O5S2.
What is the molecular weight of ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate?
The molecular weight of ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate is 482.10 g/mol.
Where can I buy ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate?
You can request a quote for ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((3-cyano-4-(3,4-dimethoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.