4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
TL;DR: 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 511237-64-2) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-oxobutanoic acid
Also Known As: BAS 06207977, 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid, 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-oxobutanoic acid, 1H-Pyrazole-1-butanoic acid, 4,5-dihydro-I(3)-oxo-3,5-diphenyl-, 4-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-4-oxo-butyric acid
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 3.2291 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 756.69604 |
Chemical Identifiers
| CAS Number | 511237-64-2 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)O)C3=CC=CC=C3 |
Product Overview
4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 511237-64-2), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: 4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
Property Insights of 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
The XLogP value of 3.2291 indicates that 4-(3,5-diphenyl-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 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 3 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-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The CAS number of 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 511237-64-2.
What is the molecular formula of 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is C19H18N2O3.
What is the molecular weight of 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid is 322.13 g/mol.
Where can I buy 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-(3,5-diphenyl-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-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.