![2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile structure](/static/products/5148/514856-20-3.webp)
2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 514856-20-3) is a chemical compound with molecular formula C33H24Cl2F3N5O and molecular weight 633.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[1-[(2,6-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-[1-[(2,6-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C33H24Cl2F3N5O |
|---|---|
| Molecular Weight | 633.13 g/mol |
| LogP | 8.22878 |
| Topological Polar Surface Area | 87.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 633.131 |
| Heavy Atoms | 44 |
| Complexity | 1869.0009 |
Chemical Identifiers
| CAS Number | 514856-20-3 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CN(N=C4C5=CC=CC=C5)CC6=C(C=CC=C6Cl)Cl)C(=O)C1 |
Product Overview
2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 514856-20-3), with molecular formula C33H24Cl2F3N5O and molecular weight 633.13 g/mol. IUPAC: 2-amino-4-[1-[(2,6-dichlorophenyl)methyl]-3-phenylpyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 8.22878 indicates that 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[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 87.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-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-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 514856-20-3.
What is the molecular formula of 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C33H24Cl2F3N5O.
What is the molecular weight of 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 633.13 g/mol.
Where can I buy 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[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-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-[1-(2,6-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-5-oxo-1-[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.