4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
TL;DR: 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 685135-48-2) is a chemical compound with molecular formula C24H22ClN3O4 and molecular weight 451.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-chloro-6-ethoxyquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, F1292-0118, 4-[3-(2-chloro-6-ethoxyquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid, 4-[5-(2-chloro-6-ethoxy-quinolin-3-yl)-3-phenyl-4,5-dihydropyrazol-1-yl]-4-oxo-butanoic Acid
| Molecular Formula | C24H22ClN3O4 |
|---|---|
| Molecular Weight | 451.13 g/mol |
| LogP | 4.8294 |
| Topological Polar Surface Area | 92.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.12988 |
| Heavy Atoms | 32 |
| Complexity | 1196.5735 |
Chemical Identifiers
| CAS Number | 685135-48-2 |
|---|---|
| SMILES | CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=CC=C4 |
Product Overview
4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 685135-48-2), with molecular formula C24H22ClN3O4 and molecular weight 451.13 g/mol. IUPAC: 4-[3-(2-chloro-6-ethoxyquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
Property Insights of 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
The XLogP value of 4.8294 indicates that 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 5 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 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The CAS number of 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 685135-48-2.
What is the molecular formula of 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is C24H22ClN3O4.
What is the molecular weight of 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 451.13 g/mol.
Where can I buy 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(2-chloro-6-ethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.