2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide
TL;DR: 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide (CAS 684237-95-4) is a chemical compound with molecular formula C22H20FN3O4S and molecular weight 441.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
Also Known As: 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide, 2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide, F1461-0544, 2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
| Molecular Formula | C22H20FN3O4S |
|---|---|
| Molecular Weight | 441.12 g/mol |
| LogP | 3.64058 |
| Topological Polar Surface Area | 111.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.11584 |
| Heavy Atoms | 31 |
| Complexity | 1080.666 |
Chemical Identifiers
| CAS Number | 684237-95-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)F)O |
Product Overview
2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide (CAS 684237-95-4), with molecular formula C22H20FN3O4S and molecular weight 441.12 g/mol. IUPAC: 2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)acetamide.
Chemical Property Profile of 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide
Property Insights of 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide
The XLogP value of 3.64058 indicates that 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)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 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)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 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide?
The CAS number of 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide is 684237-95-4.
What is the molecular formula of 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide?
The molecular formula of 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide is C22H20FN3O4S.
What is the molecular weight of 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide?
The molecular weight of 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide is 441.12 g/mol.
Where can I buy 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide?
You can request a quote for 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.