4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
TL;DR: 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide (CAS 441783-83-1) is a chemical compound with molecular formula C25H27FN2O2S2 and molecular weight 470.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Also Known As: 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide, 4-[5-ethyl-2-(ethylsulfanyl)-3-thienyl]-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide, 4-(5-Ethyl-2-(ethylsulfanyl)-3-thienyl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide, 4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide, 4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
| Molecular Formula | C25H27FN2O2S2 |
|---|---|
| Molecular Weight | 470.15 g/mol |
| LogP | 6.1682 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.1498 |
| Heavy Atoms | 32 |
| Complexity | 1132.7118 |
Chemical Identifiers
| CAS Number | 441783-83-1 |
|---|---|
| SMILES | CCC1=CC(=C(S1)SCC)C2C3=C(CCCC3=O)NC(=C2C(=O)NC4=CC(=CC=C4)F)C |
Product Overview
4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide (CAS 441783-83-1), with molecular formula C25H27FN2O2S2 and molecular weight 470.15 g/mol. IUPAC: 4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
Chemical Property Profile of 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Property Insights of 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
The XLogP value of 6.1682 indicates that 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide?
The CAS number of 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide is 441783-83-1.
What is the molecular formula of 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide?
The molecular formula of 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide is C25H27FN2O2S2.
What is the molecular weight of 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide?
The molecular weight of 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide is 470.15 g/mol.
Where can I buy 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide?
You can request a quote for 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Ethyl-2-(ethylthio)thiophen-3-yl)-N-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.