2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 339314-06-6) is a chemical compound with molecular formula C23H22ClN3OS and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-1-(3-CHLORO-2-METHYLPHENYL)-7,7-DIMETHYL-5-OXO-4-(3-THIENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile, 648-290-3
| Molecular Formula | C23H22ClN3OS |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 5.6508 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.11722 |
| Heavy Atoms | 29 |
| Complexity | 1105.638 |
Chemical Identifiers
| CAS Number | 339314-06-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2C3=C(C(C(=C2N)C#N)C4=CSC=C4)C(=O)CC(C3)(C)C |
Product Overview
2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 339314-06-6), with molecular formula C23H22ClN3OS and molecular weight 423.12 g/mol. IUPAC: 2-amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-thiophen-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 5.6508 indicates that 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-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-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 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 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 339314-06-6.
What is the molecular formula of 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C23H22ClN3OS.
What is the molecular weight of 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 423.12 g/mol.
Where can I buy 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-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-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.