4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
TL;DR: 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 369396-30-5) is a chemical compound with molecular formula C26H26ClN3O6 and molecular weight 511.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-chloro-7-ethoxyquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-[3-(2-chloro-7-ethoxyquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid, 4-[5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
| Molecular Formula | C26H26ClN3O6 |
|---|---|
| Molecular Weight | 511.15 g/mol |
| LogP | 4.8466 |
| Topological Polar Surface Area | 110.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.151 |
| Heavy Atoms | 36 |
| Complexity | 1342.7493 |
Chemical Identifiers
| CAS Number | 369396-30-5 |
|---|---|
| SMILES | CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)O)C4=CC(=C(C=C4)OC)OC)Cl |
Product Overview
4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 369396-30-5), with molecular formula C26H26ClN3O6 and molecular weight 511.15 g/mol. IUPAC: 4-[3-(2-chloro-7-ethoxyquinolin-3-yl)-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
Property Insights of 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
The XLogP value of 4.8466 indicates that 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-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 110.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 7 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-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The CAS number of 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 369396-30-5.
What is the molecular formula of 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is C26H26ClN3O6.
What is the molecular weight of 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 511.15 g/mol.
Where can I buy 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-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-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(2-chloro-7-ethoxyquinolin-3-yl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.