![2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide structure](/static/products/369/369393-09-9.png)
2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
TL;DR: 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide (CAS 369393-09-9) is a chemical compound with molecular formula C26H25N3O3S and molecular weight 459.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide, 2-((3-cyano-5-oxo-4-(o-tolyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(4-methoxyphenyl)acetamide, 2-[[3-cyano-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide, 2-{[3-cyano-5-hydroxy-4-(2-methylphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C26H25N3O3S |
|---|---|
| Molecular Weight | 459.16 g/mol |
| LogP | 4.8046 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.16165 |
| Heavy Atoms | 33 |
| Complexity | 1192.0079 |
Chemical Identifiers
| CAS Number | 369393-09-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=C(C=C4)OC)C#N |
Product Overview
2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide (CAS 369393-09-9), with molecular formula C26H25N3O3S and molecular weight 459.16 g/mol. IUPAC: 2-[[3-cyano-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Property Insights of 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
The XLogP value of 4.8046 indicates that 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-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-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide?
The CAS number of 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide is 369393-09-9.
What is the molecular formula of 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide?
The molecular formula of 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide is C26H25N3O3S.
What is the molecular weight of 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide?
The molecular weight of 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide is 459.16 g/mol.
Where can I buy 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide?
You can request a quote for 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-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-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-cyano-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.