4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid
TL;DR: 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid (CAS 135128-60-8) is a chemical compound with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-oxobutanoic acid
Also Known As: 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid, 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-oxobutanoic acid, 4-(4-ETHOXYPHENYL)-2-(3-METHYL-5-OXO-1-PHENYL(2-PYRAZOLIN-4-YL))-4-OXOBUTANOIC ACID, 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-oxo-butanoic Acid, 3-(4-Ethoxybenzoyl)-2-[(3-methyl-1-phenyl-5-oxo-4,5-dihydro-1H-pyrazol)-4-yl]propionic acid
| Molecular Formula | C22H22N2O5 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 3.3978 |
| Topological Polar Surface Area | 96.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.15286 |
| Heavy Atoms | 29 |
| Complexity | 937.4348 |
Chemical Identifiers
| CAS Number | 135128-60-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)CC(C2C(=NN(C2=O)C3=CC=CC=C3)C)C(=O)O |
Product Overview
4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid (CAS 135128-60-8), with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol. IUPAC: 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid
Property Insights of 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid
The XLogP value of 3.3978 indicates that 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-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-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid?
The CAS number of 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid is 135128-60-8.
What is the molecular formula of 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid?
The molecular formula of 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid is C22H22N2O5.
What is the molecular weight of 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid?
The molecular weight of 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid is 394.15 g/mol.
Where can I buy 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid?
You can request a quote for 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-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-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-ethoxyphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.