![4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid structure](/static/products/4426/442649-96-9.webp)
4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
TL;DR: 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid (CAS 442649-96-9) 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-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, 4-(5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-(5-{7-CHLORO-2H,3H-[1,4]DIOXINO[2,3-G]QUINOLIN-8-YL}-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL)-4-OXOBUTANOIC ACID, 4-[3-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
| Molecular Formula | C24H20ClN3O5 |
|---|---|
| Molecular Weight | 465.11 g/mol |
| LogP | 4.2019 |
| 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 | 1278.0798 |
Chemical Identifiers
| CAS Number | 442649-96-9 |
|---|---|
| SMILES | C1COC2=CC3=NC(=C(C=C3C=C2O1)C4CC(=NN4C(=O)CCC(=O)O)C5=CC=CC=C5)Cl |
Product Overview
4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid (CAS 442649-96-9), with molecular formula C24H20ClN3O5 and molecular weight 465.11 g/mol. IUPAC: 4-[3-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Property Insights of 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
The XLogP value of 4.2019 indicates that 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-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 101.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-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-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid?
The CAS number of 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid is 442649-96-9.
What is the molecular formula of 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid?
The molecular formula of 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid is C24H20ClN3O5.
What is the molecular weight of 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid?
The molecular weight of 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid is 465.11 g/mol.
Where can I buy 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid?
You can request a quote for 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-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-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-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.