![4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid structure](/static/products/836/836626-96-1.png)
4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
TL;DR: 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 836626-96-1) is a chemical compound with molecular formula C29H22ClN3O6 and molecular weight 543.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(1,3-benzodioxol-5-yl)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[(3Z)-5-(1,3-benzodioxol-5-yl)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)pyrazolidin-1-yl]-4-oxobutanoic acid, 4-[5-(1,3-benzodioxol-5-yl)-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-[5-(1,3-benzodioxol-5-yl)-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)pyrazolidin-1-yl]-4-oxobutanoic acid
| Molecular Formula | C29H22ClN3O6 |
|---|---|
| Molecular Weight | 543.12 g/mol |
| LogP | 5.1197 |
| Topological Polar Surface Area | 121.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.1197 |
| Heavy Atoms | 39 |
| Complexity | 1715.9386 |
Chemical Identifiers
| CAS Number | 836626-96-1 |
|---|---|
| SMILES | C1C(N(N=C1C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CC6=C(C=C5)OCO6 |
Product Overview
4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 836626-96-1), with molecular formula C29H22ClN3O6 and molecular weight 543.12 g/mol. IUPAC: 4-[3-(1,3-benzodioxol-5-yl)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
Property Insights of 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
The XLogP value of 5.1197 indicates that 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-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 121.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic 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 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The CAS number of 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 836626-96-1.
What is the molecular formula of 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is C29H22ClN3O6.
What is the molecular weight of 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 543.12 g/mol.
Where can I buy 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-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-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(benzo[d][1,3]dioxol-5-yl)-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.