Antipyric acid
TL;DR: Antipyric acid (CAS 270262-98-1) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid
Also Known As: Antipyric acid, 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid, 4-Antipyrinecarboxylic acid, ANTIPYRINECARBOXYLIC ACID, 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 270262-98-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)O |
| InChIKey | DHFYEFAILLBNHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Antipyric acid (CAS 270262-98-1), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxylic acid.
Chemical Property Profile of Antipyric acid
Property Insights of Antipyric acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antipyric acid. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Antipyric acid. Following Lipinski's Rule of Five, Antipyric acid 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 Antipyric acid?
The CAS number of Antipyric acid is 270262-98-1.
What is the molecular formula of Antipyric acid?
The molecular formula of Antipyric acid is C12H12N2O3.
What is the molecular weight of Antipyric acid?
The molecular weight of Antipyric acid is 232.08 g/mol.
Where can I buy Antipyric acid?
You can request a quote for Antipyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antipyric acid?
Yes, KEHONG BIO provides custom synthesis services for Antipyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.