4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid
TL;DR: 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid (CAS 354781-70-7) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzoic acid
Also Known As: 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid, SDCCGSBI-0136552.P001, 4-(5-oxo-3-phenyl-3-pyrazolinyl)benzoic acid, 4-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzoic acid, 4-(5-oxo-3-phenyl-2H-pyrazol-1-yl)benzoic Acid
| Molecular Formula | C16H12N2O3 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 2.5308 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08478 |
| Heavy Atoms | 21 |
| Complexity | 829.96356 |
Chemical Identifiers
| CAS Number | 354781-70-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid (CAS 354781-70-7), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: 4-(3-oxo-5-phenyl-1H-pyrazol-2-yl)benzoic acid.
Chemical Property Profile of 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Property Insights of 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid
The XLogP value of 2.5308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid has 2 hydrogen bond donor(s) and 2 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-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The CAS number of 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid is 354781-70-7.
What is the molecular formula of 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The molecular formula of 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid is C16H12N2O3.
What is the molecular weight of 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
The molecular weight of 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid is 280.08 g/mol.
Where can I buy 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
You can request a quote for 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-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-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.