![2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE structure](/static/products/4764/476483-80-4.webp)
2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
TL;DR: 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE (CAS 476483-80-4) is a chemical compound with molecular formula C25H23ClF3N3OS and molecular weight 505.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-AMINO-1-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-Amino-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYLTHIOPHEN-3-YL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBONITRILE, 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C25H23ClF3N3OS |
|---|---|
| Molecular Weight | 505.12 g/mol |
| LogP | 6.97802 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 505.12024 |
| Heavy Atoms | 34 |
| Complexity | 1313.6338 |
Chemical Identifiers
| CAS Number | 476483-80-4 |
|---|---|
| SMILES | CC1=CC(=C(S1)C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=CC(=C4)C(F)(F)F)Cl)N)C#N |
Product Overview
2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE (CAS 476483-80-4), with molecular formula C25H23ClF3N3OS and molecular weight 505.12 g/mol. IUPAC: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
Property Insights of 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
The XLogP value of 6.97802 indicates that 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-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-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE. Following Lipinski's Rule of Five, 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE 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-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE?
The CAS number of 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE is 476483-80-4.
What is the molecular formula of 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE?
The molecular formula of 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE is C25H23ClF3N3OS.
What is the molecular weight of 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE?
The molecular weight of 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE is 505.12 g/mol.
Where can I buy 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE?
You can request a quote for 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-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-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE?
Yes, KEHONG BIO provides custom synthesis services for 2-AMINO-1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-(2,5-DIMETHYL-3-THIENYL)-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.