2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 716333-49-2) is a chemical compound with molecular formula C24H21N5O5 and molecular weight 459.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C24H21N5O5 |
|---|---|
| Molecular Weight | 459.15 g/mol |
| LogP | 4.44388 |
| Topological Polar Surface Area | 156.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.15427 |
| Heavy Atoms | 34 |
| Complexity | 1334.2676 |
Chemical Identifiers
| CAS Number | 716333-49-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C |
Product Overview
2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 716333-49-2), with molecular formula C24H21N5O5 and molecular weight 459.15 g/mol. IUPAC: 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 4.44388 indicates that 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.4 Ų indicates high polarity, suggesting 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 716333-49-2.
What is the molecular formula of 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C24H21N5O5.
What is the molecular weight of 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 459.15 g/mol.
Where can I buy 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 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-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-7,7-dimethyl-1-(3-nitrophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.