2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
TL;DR: 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile (CAS 444924-47-4) is a chemical compound with molecular formula C28H30N4O6 and molecular weight 518.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-amino-1-{5-nitro-2-methylphenyl}-7,7-dimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-7,7-DIMETHYL-1-(2-METHYL-5-NITROPHENYL)-5-OXO-4-(2,3,4-TRIMETHOXYPHENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C28H30N4O6 |
|---|---|
| Molecular Weight | 518.22 g/mol |
| LogP | 4.8699 |
| Topological Polar Surface Area | 140.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.21655 |
| Heavy Atoms | 38 |
| Complexity | 1449.9696 |
Chemical Identifiers
| CAS Number | 444924-47-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(C(C(=C2N)C#N)C4=C(C(=C(C=C4)OC)OC)OC)C(=O)CC(C3)(C)C |
Product Overview
2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile (CAS 444924-47-4), with molecular formula C28H30N4O6 and molecular weight 518.22 g/mol. IUPAC: 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
Property Insights of 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
The XLogP value of 4.8699 indicates that 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.95 Ų indicates high polarity, suggesting 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 9 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-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile?
The CAS number of 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile is 444924-47-4.
What is the molecular formula of 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile?
The molecular formula of 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile is C28H30N4O6.
What is the molecular weight of 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile?
The molecular weight of 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile is 518.22 g/mol.
Where can I buy 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile?
You can request a quote for 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-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-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-4-(2,3,4-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.