![2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile structure](/static/products/4449/444933-97-5.webp)
2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 444933-97-5) is a chemical compound with molecular formula C25H20Cl2F3N3O and molecular weight 505.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-Amino-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(2-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-Amino-4-(2-chlorophenyl)-1-(2-chloro-5-(trifluoromethyl)phenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C25H20Cl2F3N3O |
|---|---|
| Molecular Weight | 505.09 g/mol |
| LogP | 6.95308 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 505.09357 |
| Heavy Atoms | 34 |
| Complexity | 1305.2146 |
Chemical Identifiers
| CAS Number | 444933-97-5 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C#N)C4=CC=CC=C4Cl)C(=O)C1)C |
Product Overview
2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 444933-97-5), with molecular formula C25H20Cl2F3N3O and molecular weight 505.09 g/mol. IUPAC: 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 6.95308 indicates that 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 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-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile has 1 hydrogen bond donor(s) and 4 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-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 444933-97-5.
What is the molecular formula of 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C25H20Cl2F3N3O.
What is the molecular weight of 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 505.09 g/mol.
Where can I buy 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(2-chlorophenyl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.