![N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide structure](/static/products/684/684237-97-6.png)
N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
TL;DR: N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide (CAS 684237-97-6) is a chemical compound with molecular formula C22H20ClN3O4S and molecular weight 457.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, N-(3-chlorophenyl)-2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, N-(3-chlorophenyl)-2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
| Molecular Formula | C22H20ClN3O4S |
|---|---|
| Molecular Weight | 457.09 g/mol |
| LogP | 4.15488 |
| Topological Polar Surface Area | 111.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.0863 |
| Heavy Atoms | 31 |
| Complexity | 1080.666 |
Chemical Identifiers
| CAS Number | 684237-97-6 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)Cl)O |
Product Overview
N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide (CAS 684237-97-6), with molecular formula C22H20ClN3O4S and molecular weight 457.09 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Property Insights of N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
The XLogP value of 4.15488 indicates that N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide has 3 hydrogen bond donor(s) and 6 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 N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide?
The CAS number of N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide is 684237-97-6.
What is the molecular formula of N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide?
The molecular formula of N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide is C22H20ClN3O4S.
What is the molecular weight of N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide?
The molecular weight of N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide is 457.09 g/mol.
Where can I buy N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide?
You can request a quote for N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.