1-Phenyl-3-carboxy-5-pyrazolone
TL;DR: 1-Phenyl-3-carboxy-5-pyrazolone (CAS 119-18-6) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid
Also Known As: 5-Oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid, 5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid, 1-Phenyl-5-pyrazolone-3-carboxylic Acid, timtec-bb sbb010085, 5-Oxo-1-phenyl-2-pyrazolin-3-carboxylic acid
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
| Solubility | >30.6 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 119-18-6 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC=CC=C2)C(=O)O |
| InChIKey | IMZSHPUSPMOODC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-carboxy-5-pyrazolone (CAS 119-18-6), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: 5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of 1-Phenyl-3-carboxy-5-pyrazolone
Property Insights of 1-Phenyl-3-carboxy-5-pyrazolone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-carboxy-5-pyrazolone. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-3-carboxy-5-pyrazolone. Following Lipinski's Rule of Five, 1-Phenyl-3-carboxy-5-pyrazolone has 1 hydrogen bond donor(s) and 4 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 1-Phenyl-3-carboxy-5-pyrazolone?
The CAS number of 1-Phenyl-3-carboxy-5-pyrazolone is 119-18-6.
What is the molecular formula of 1-Phenyl-3-carboxy-5-pyrazolone?
The molecular formula of 1-Phenyl-3-carboxy-5-pyrazolone is C10H8N2O3.
What is the molecular weight of 1-Phenyl-3-carboxy-5-pyrazolone?
The molecular weight of 1-Phenyl-3-carboxy-5-pyrazolone is 204.05 g/mol.
Where can I buy 1-Phenyl-3-carboxy-5-pyrazolone?
You can request a quote for 1-Phenyl-3-carboxy-5-pyrazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-carboxy-5-pyrazolone?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-carboxy-5-pyrazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.