3-Carboxyantipyrine
TL;DR: 3-Carboxyantipyrine (CAS 41405-77-0) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-oxo-1-phenylpyrazole-3-carboxylic acid
Also Known As: 3-Carboxyantipyrine, 2-methyl-5-oxo-1-phenylpyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylicacid, 2,5-dihydro-2-methyl-5-oxo-1-phenyl-, 3-carboxy-2-methyl-1-phenyl-3-pyrazolin-5-one, 2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 41405-77-0 |
|---|---|
| SMILES | CN1C(=CC(=O)N1C2=CC=CC=C2)C(=O)O |
| InChIKey | OIHMJESJURQMDG-UHFFFAOYSA-N |
Product Overview
3-Carboxyantipyrine (CAS 41405-77-0), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: 2-methyl-5-oxo-1-phenylpyrazole-3-carboxylic acid.
Chemical Property Profile of 3-Carboxyantipyrine
Property Insights of 3-Carboxyantipyrine
The XLogP value of -0.3 indicates that 3-Carboxyantipyrine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxyantipyrine. Following Lipinski's Rule of Five, 3-Carboxyantipyrine 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 3-Carboxyantipyrine?
The CAS number of 3-Carboxyantipyrine is 41405-77-0.
What is the molecular formula of 3-Carboxyantipyrine?
The molecular formula of 3-Carboxyantipyrine is C11H10N2O3.
What is the molecular weight of 3-Carboxyantipyrine?
The molecular weight of 3-Carboxyantipyrine is 218.07 g/mol.
Where can I buy 3-Carboxyantipyrine?
You can request a quote for 3-Carboxyantipyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxyantipyrine?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxyantipyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.