2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide
TL;DR: 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide (CAS 488122-64-1) is a chemical compound with molecular formula C28H25N3O4S and molecular weight 499.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide, 2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide, 2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide, 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C28H25N3O4S |
|---|---|
| Molecular Weight | 499.16 g/mol |
| LogP | 4.98478 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.1566 |
| Heavy Atoms | 36 |
| Complexity | 1283.125 |
Chemical Identifiers
| CAS Number | 488122-64-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N |
Product Overview
2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide (CAS 488122-64-1), with molecular formula C28H25N3O4S and molecular weight 499.16 g/mol. IUPAC: 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide
Property Insights of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide
The XLogP value of 4.98478 indicates that 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)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-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)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-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide?
The CAS number of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide is 488122-64-1.
What is the molecular formula of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide?
The molecular formula of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide is C28H25N3O4S.
What is the molecular weight of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide?
The molecular weight of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide is 499.16 g/mol.
Where can I buy 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide?
You can request a quote for 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.