![ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate structure](/static/products/4887/488745-96-6.webp)
ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate
TL;DR: ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate (CAS 488745-96-6) is a chemical compound with molecular formula C17H17ClN2O3S and molecular weight 364.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate
Also Known As: ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate, ethyl 2-((4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)propanoate, ethyl 2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}propanoate, ethyl 2-{[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}propanoate
| Molecular Formula | C17H17ClN2O3S |
|---|---|
| Molecular Weight | 364.06 g/mol |
| LogP | 3.36348 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.06485 |
| Heavy Atoms | 24 |
| Complexity | 726.791 |
Chemical Identifiers
| CAS Number | 488745-96-6 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=C(C(CC(=O)N1)C2=CC=CC=C2Cl)C#N |
Product Overview
ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate (CAS 488745-96-6), with molecular formula C17H17ClN2O3S and molecular weight 364.06 g/mol. IUPAC: ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate.
Chemical Property Profile of ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate
Property Insights of ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate
The XLogP value of 3.36348 indicates that ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate. Following Lipinski's Rule of Five, ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate has 1 hydrogen bond donor(s) and 5 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 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate?
The CAS number of ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate is 488745-96-6.
What is the molecular formula of ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate?
The molecular formula of ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate is C17H17ClN2O3S.
What is the molecular weight of ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate?
The molecular weight of ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate is 364.06 g/mol.
Where can I buy ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate?
You can request a quote for ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.