2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide
TL;DR: 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide (CAS 496772-59-9) is a chemical compound with molecular formula C27H26FN3O5S and molecular weight 523.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Also Known As: 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide, 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide, 2-{[3-cyano-5-hydroxy-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide, 2-{[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
| Molecular Formula | C27H26FN3O5S |
|---|---|
| Molecular Weight | 523.16 g/mol |
| LogP | 4.65248 |
| Topological Polar Surface Area | 109.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.1577 |
| Heavy Atoms | 37 |
| Complexity | 1322.7874 |
Chemical Identifiers
| CAS Number | 496772-59-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=CC=C4F)C#N |
Product Overview
2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide (CAS 496772-59-9), with molecular formula C27H26FN3O5S and molecular weight 523.16 g/mol. IUPAC: 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide
Property Insights of 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide
The XLogP value of 4.65248 indicates that 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide?
The CAS number of 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide is 496772-59-9.
What is the molecular formula of 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide?
The molecular formula of 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide is C27H26FN3O5S.
What is the molecular weight of 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide?
The molecular weight of 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide is 523.16 g/mol.
Where can I buy 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide?
You can request a quote for 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-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-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(2-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.