Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate
TL;DR: Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate (CAS 445265-65-6) is a chemical compound with molecular formula C17H16N2O3S2 and molecular weight 360.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-3-oxobutanoate
Also Known As: ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate, ethyl 4-(3-cyano-6-methyl-4-thiophen-2-ylpyridin-2-yl)sulfanyl-3-oxobutanoate, ethyl 4-{[3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
| Molecular Formula | C17H16N2O3S2 |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 3.6046 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.06024 |
| Heavy Atoms | 24 |
| Complexity | 779.8736 |
Chemical Identifiers
| CAS Number | 445265-65-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC(=CC(=C1C#N)C2=CC=CS2)C |
Product Overview
Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate (CAS 445265-65-6), with molecular formula C17H16N2O3S2 and molecular weight 360.06 g/mol. IUPAC: ethyl 4-[(3-cyano-6-methyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate
Property Insights of Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate
The XLogP value of 3.6046 indicates that Ethyl 4-((3-cyano-6-methyl-4-(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 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate has 0 hydrogen bond donor(s) and 7 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-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate?
The CAS number of Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate is 445265-65-6.
What is the molecular formula of Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate?
The molecular formula of Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate is C17H16N2O3S2.
What is the molecular weight of Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate?
The molecular weight of Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate is 360.06 g/mol.
Where can I buy Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate?
You can request a quote for Ethyl 4-((3-cyano-6-methyl-4-(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-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((3-cyano-6-methyl-4-(thiophen-2-yl)pyridin-2-yl)thio)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.