2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 311318-16-8) is a chemical compound with molecular formula C24H21ClN4O3 and molecular weight 448.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, A1232/0056725, 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-amino-1-(4-chlorophenyl)-4-{3-nitrophenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C24H21ClN4O3 |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 5.18908 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.13022 |
| Heavy Atoms | 32 |
| Complexity | 1238.6357 |
Chemical Identifiers
| CAS Number | 311318-16-8 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C |
Product Overview
2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 311318-16-8), with molecular formula C24H21ClN4O3 and molecular weight 448.13 g/mol. IUPAC: 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 5.18908 indicates that 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-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 113.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile has 1 hydrogen bond donor(s) and 6 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-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 311318-16-8.
What is the molecular formula of 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C24H21ClN4O3.
What is the molecular weight of 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 448.13 g/mol.
Where can I buy 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-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-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-(3-nitrophenyl)-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.