2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 476483-23-5) is a chemical compound with molecular formula C25H27N3OS2 and molecular weight 449.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-7,7-DIMETHYL-4-(5-METHYL-2-(METHYLSULFANYL)-3-THIENYL)-1-(4-METH YLPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-7,7-dimethyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-Amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)-3-thienyl]-1-(4-meth ylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-7,7-dimethyl-4-[5-methyl-2-(methylsulfanyl)-3-thienyl]-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C25H27N3OS2 |
|---|---|
| Molecular Weight | 449.16 g/mol |
| LogP | 6.02772 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.15955 |
| Heavy Atoms | 31 |
| Complexity | 1162.3643 |
Chemical Identifiers
| CAS Number | 476483-23-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=C(SC(=C4)C)SC)C(=O)CC(C3)(C)C |
Product Overview
2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 476483-23-5), with molecular formula C25H27N3OS2 and molecular weight 449.16 g/mol. IUPAC: 2-amino-7,7-dimethyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-1-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 6.02772 indicates that 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 476483-23-5.
What is the molecular formula of 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C25H27N3OS2.
What is the molecular weight of 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 449.16 g/mol.
Where can I buy 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-7,7-dimethyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-5-oxo-1-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.