![4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid structure](/static/products/6851/685135-57-3.webp)
4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
TL;DR: 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 685135-57-3) is a chemical compound with molecular formula C24H20ClN3O5 and molecular weight 465.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-(5-{6-chloro-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl}-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, F1292-0033, 4-[3-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid, 4-[5-(6-chloro[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
| Molecular Formula | C24H20ClN3O5 |
|---|---|
| Molecular Weight | 465.11 g/mol |
| LogP | 4.46782 |
| Topological Polar Surface Area | 101.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.10916 |
| Heavy Atoms | 33 |
| Complexity | 1305.6927 |
Chemical Identifiers
| CAS Number | 685135-57-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=C5C(=CC4=C3)OCO5)Cl)C(=O)CCC(=O)O |
Product Overview
4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 685135-57-3), with molecular formula C24H20ClN3O5 and molecular weight 465.11 g/mol. IUPAC: 4-[3-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
Property Insights of 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
The XLogP value of 4.46782 indicates that 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-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 101.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 6 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-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The CAS number of 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 685135-57-3.
What is the molecular formula of 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is C24H20ClN3O5.
What is the molecular weight of 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 465.11 g/mol.
Where can I buy 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-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-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.