![2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile structure](/static/products/4900/490013-56-4.webp)
2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 490013-56-4) is a chemical compound with molecular formula C27H22Cl2N6O4 and molecular weight 564.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-amino-1-(3,5-dichlorophenyl)-4-[3-({4-nitro-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-1-(3,5-DICHLOROPHENYL)-4-{4-METHOXY-3-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]PHENYL}-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-(3,5-dichlorophenyl)-4-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C27H22Cl2N6O4 |
|---|---|
| Molecular Weight | 564.11 g/mol |
| LogP | 5.45978 |
| Topological Polar Surface Area | 140.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 564.108 |
| Heavy Atoms | 39 |
| Complexity | 1600.1045 |
Chemical Identifiers
| CAS Number | 490013-56-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC(=C4)Cl)Cl)N)C#N)CN5C=C(C=N5)[N+](=O)[O-] |
Product Overview
2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 490013-56-4), with molecular formula C27H22Cl2N6O4 and molecular weight 564.11 g/mol. IUPAC: 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 5.45978 indicates that 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.31 Ų indicates high polarity, suggesting 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 8 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-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is 490013-56-4.
What is the molecular formula of 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is C27H22Cl2N6O4.
What is the molecular weight of 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile is 564.11 g/mol.
Where can I buy 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-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-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-(3,5-dichlorophenyl)-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.