![2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile structure](/static/products/4450/445016-55-7.webp)
2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 445016-55-7) is a chemical compound with molecular formula C26H21F6N3O and molecular weight 505.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-Amino-7,7-dimethyl-5-oxo-1,4-bis(2-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-Amino-7,7-dimethyl-5-oxo-1,4-bis(2-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C26H21F6N3O |
|---|---|
| Molecular Weight | 505.16 g/mol |
| LogP | 6.66508 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 505.15887 |
| Heavy Atoms | 36 |
| Complexity | 1344.4238 |
Chemical Identifiers
| CAS Number | 445016-55-7 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CC=CC=C4C(F)(F)F)C(=O)C1)C |
Product Overview
2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 445016-55-7), with molecular formula C26H21F6N3O and molecular weight 505.16 g/mol. IUPAC: 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 6.66508 indicates that 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-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-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-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-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 445016-55-7.
What is the molecular formula of 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C26H21F6N3O.
What is the molecular weight of 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 505.16 g/mol.
Where can I buy 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-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-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-7,7-dimethyl-5-oxo-1,4-bis[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.