ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate
TL;DR: ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate (CAS 684231-00-3) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-3-oxobutanoate
Also Known As: ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate, ethyl 4-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-3-oxobutanoate, ethyl 4-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-3-oxobutanoate
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 684231-00-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C(CC(=O)N1)C2=CC=CC=C2OC)C#N |
| InChIKey | DSILYYSWCZECAP-UHFFFAOYSA-N |
Product Overview
ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate (CAS 684231-00-3), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: ethyl 4-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate
Property Insights of ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate has 1 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-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate?
The CAS number of ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate is 684231-00-3.
What is the molecular formula of ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate?
The molecular formula of ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate is C19H20N2O5S.
What is the molecular weight of ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate?
The molecular weight of ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate is 388.11 g/mol.
Where can I buy ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate?
You can request a quote for ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-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-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.