2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide
TL;DR: 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide (CAS 685095-68-5) is a chemical compound with molecular formula C26H23N3O4S and molecular weight 473.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide
Also Known As: 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide, 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide, 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
| Molecular Formula | C26H23N3O4S |
|---|---|
| Molecular Weight | 473.14 g/mol |
| LogP | 4.56758 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.14093 |
| Heavy Atoms | 34 |
| Complexity | 1323.8655 |
Chemical Identifiers
| CAS Number | 685095-68-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=CC4=CC=CC=C43)OC |
Product Overview
2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide (CAS 685095-68-5), with molecular formula C26H23N3O4S and molecular weight 473.14 g/mol. IUPAC: 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide
Property Insights of 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide
The XLogP value of 4.56758 indicates that 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide. Following Lipinski's Rule of Five, 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide has 2 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-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide?
The CAS number of 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide is 685095-68-5.
What is the molecular formula of 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide?
The molecular formula of 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide is C26H23N3O4S.
What is the molecular weight of 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide?
The molecular weight of 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide is 473.14 g/mol.
Where can I buy 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide?
You can request a quote for 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)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-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(naphthalen-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.