2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 156496-76-3) is a chemical compound with molecular formula C24H22BrN3O and molecular weight 447.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile, 1-Phenyl-2-amino-4-(4-bromophenyl)-5-oxo-7,7-dimethyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 1-Phenyl-4-(4-bromophenyl)-2-amino-5-oxo-7,7-dimethyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Technical Specifications
| Molecular Formula | C24H22BrN3O |
| Molecular Weight | 447.09464 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 447.09464 Da |
| Heavy Atoms | 29 |
| Complexity | 788.0 |
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC=C(C=C4)Br)C(=O)C1)C |
| InChIKey | VYEMUTBWOSTYJY-UHFFFAOYSA-N |
Chemical Property Profile of 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 5.2 indicates that 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-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 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-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
What is the CAS number of 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 156496-76-3.
What is the molecular formula of 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C24H22BrN3O.
What is the molecular weight of 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 447.09464 g/mol.
Where can I buy 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-amino-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.