3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid
TL;DR: 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid (CAS 60297-63-4) 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.
3-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid
Also Known As: 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid, 3-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid, 3-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid, 3-(3-methyl-5-oxo-3-pyrazolinyl)benzoic acid, 3-(3-methyl-5-oxo-2H-pyrazol-1-yl)benzoic Acid
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.17222 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 595.2723 |
Chemical Identifiers
| CAS Number | 60297-63-4 |
|---|---|
| SMILES | CC1=CC(=O)N(N1)C2=CC=CC(=C2)C(=O)O |
Product Overview
3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid (CAS 60297-63-4), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: 3-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid.
Chemical Property Profile of 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid
Property Insights of 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid
The XLogP value of 1.17222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(5-hydroxy-3-methyl-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 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid?
The CAS number of 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid is 60297-63-4.
What is the molecular formula of 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid?
The molecular formula of 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid is C11H10N2O3.
What is the molecular weight of 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid?
The molecular weight of 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid is 218.07 g/mol.
Where can I buy 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid?
You can request a quote for 3-(5-hydroxy-3-methyl-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 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.