4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid
TL;DR: 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid (CAS 486994-80-3) is a chemical compound with molecular formula C23H16N2O3 and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid
Also Known As: AN-655/37429013, 4-(4-benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid, 4-[4,5-Dihydro-5-oxo-3-phenyl-4-(phenylmethylene)-1H-pyrazol-1-yl]benzoic acid, 4-(4-benzylidene-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid, 4-[(4E)-4-BENZYLIDENE-5-OXO-3-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-1-YL]BENZOIC ACID
| Molecular Formula | C23H16N2O3 |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 4.2193 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.1161 |
| Heavy Atoms | 28 |
| Complexity | 1085.7109 |
Chemical Identifiers
| CAS Number | 486994-80-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 |
Product Overview
4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid (CAS 486994-80-3), with molecular formula C23H16N2O3 and molecular weight 368.12 g/mol. IUPAC: 4-(4-benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid.
Chemical Property Profile of 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid
Property Insights of 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid
The XLogP value of 4.2193 indicates that 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic 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-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic 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-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid?
The CAS number of 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid is 486994-80-3.
What is the molecular formula of 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid?
The molecular formula of 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid is C23H16N2O3.
What is the molecular weight of 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid?
The molecular weight of 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid is 368.12 g/mol.
Where can I buy 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid?
You can request a quote for 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic 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-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Benzylidene-5-oxo-3-phenylpyrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.