5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid
TL;DR: 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid (CAS 394239-93-1) is a chemical compound with molecular formula C29H23ClN4O6 and molecular weight 558.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
Also Known As: 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid, F0770-0059, 5-[3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid, 5-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid, 5-[(3Z)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(3-nitrophenyl)pyrazolidin-1-yl]-5-oxopentanoic acid
| Molecular Formula | C29H23ClN4O6 |
|---|---|
| Molecular Weight | 558.13 g/mol |
| LogP | 5.6893 |
| Topological Polar Surface Area | 145.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 558.1306 |
| Heavy Atoms | 40 |
| Complexity | 1734.0718 |
Chemical Identifiers
| CAS Number | 394239-93-1 |
|---|---|
| SMILES | C1C(N(N=C1C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)CCCC(=O)O)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid (CAS 394239-93-1), with molecular formula C29H23ClN4O6 and molecular weight 558.13 g/mol. IUPAC: 5-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.
Chemical Property Profile of 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid
Property Insights of 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid
The XLogP value of 5.6893 indicates that 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.97 Ų indicates high polarity, suggesting 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid has 2 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 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid?
The CAS number of 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid is 394239-93-1.
What is the molecular formula of 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid?
The molecular formula of 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid is C29H23ClN4O6.
What is the molecular weight of 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid?
The molecular weight of 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid is 558.13 g/mol.
Where can I buy 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid?
You can request a quote for 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.