2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
TL;DR: 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 489449-62-9) is a chemical compound with molecular formula C21H20N6O3 and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(1,5-dimethylpyrazol-4-yl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(1,5-dimethylpyrazol-4-yl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-AMINO-4-(1,5-DIMETHYL-1H-PYRAZOL-4-YL)-1-(3-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
| Molecular Formula | C21H20N6O3 |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 2.9415 |
| Topological Polar Surface Area | 131.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.1597 |
| Heavy Atoms | 30 |
| Complexity | 1183.5889 |
Chemical Identifiers
| CAS Number | 489449-62-9 |
|---|---|
| SMILES | CC1=C(C=NN1C)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N |
Product Overview
2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile (CAS 489449-62-9), with molecular formula C21H20N6O3 and molecular weight 404.16 g/mol. IUPAC: 2-amino-4-(1,5-dimethylpyrazol-4-yl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Property Insights of 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
The XLogP value of 2.9415 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile. The TPSA of 131.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile has 1 hydrogen bond donor(s) and 7 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-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The CAS number of 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 489449-62-9.
What is the molecular formula of 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular formula of 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is C21H20N6O3.
What is the molecular weight of 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
The molecular weight of 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile is 404.16 g/mol.
Where can I buy 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
You can request a quote for 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{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-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-{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.