N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
TL;DR: N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide (CAS 441783-76-2) 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.
N-(4-fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Also Known As: N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide, N-(4-FLUOROPHENYL)-2,7,7-TRIMETHYL-4-[5-METHYL-2-(METHYLSULFANYL)-3-THIENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE, 648-452-3, N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylsulfanyl)-3-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide, N-(4-fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
| Molecular Formula | C25H27FN2O2S2 |
|---|---|
| Molecular Weight | 470.15 g/mol |
| LogP | 6.16022 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.1498 |
| Heavy Atoms | 32 |
| Complexity | 1159.1046 |
Chemical Identifiers
| CAS Number | 441783-76-2 |
|---|---|
| SMILES | CC1=CC(=C(S1)SC)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)NC4=CC=C(C=C4)F)C |
Product Overview
N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide (CAS 441783-76-2), with molecular formula C25H27FN2O2S2 and molecular weight 470.15 g/mol. IUPAC: N-(4-fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide.
Chemical Property Profile of N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Property Insights of N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
The XLogP value of 6.16022 indicates that N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-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, N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-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, N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-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 N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide?
The CAS number of N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide is 441783-76-2.
What is the molecular formula of N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide?
The molecular formula of N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide is C25H27FN2O2S2.
What is the molecular weight of N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide?
The molecular weight of N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide is 470.15 g/mol.
Where can I buy N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide?
You can request a quote for N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-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 N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Fluorophenyl)-2,7,7-trimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-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.