2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 441783-63-7) is a chemical compound with molecular formula C25H26ClN3OS and molecular weight 451.15 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)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-1-(3-CHLORO-2-METHYLPHENYL)-4-(5-ETHYL-2-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 648-309-5
| Molecular Formula | C25H26ClN3OS |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 6.2132 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.1485 |
| Heavy Atoms | 31 |
| Complexity | 1181.6143 |
Chemical Identifiers
| CAS Number | 441783-63-7 |
|---|---|
| SMILES | CCC1=CC=C(S1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C(=CC=C4)Cl)C)N)C#N |
Product Overview
2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 441783-63-7), with molecular formula C25H26ClN3OS and molecular weight 451.15 g/mol. IUPAC: 2-amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 6.2132 indicates that 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-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)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-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)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 441783-63-7.
What is the molecular formula of 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C25H26ClN3OS.
What is the molecular weight of 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 451.15 g/mol.
Where can I buy 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-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)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-(3-chloro-2-methylphenyl)-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.