4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid
TL;DR: 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid (CAS 297743-27-2) 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.
4-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)benzoic acid
Also Known As: 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid, 4-(5-Hydroxy-3,4-dimethyl-1H-pyrazol-1-yl)benzoic acid, ASN 15024657, 4-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)benzoic acid, 4-(5-hydroxy-3,4-dimethylpyrazolyl)benzoic acid
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.48064 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 620.19055 |
Chemical Identifiers
| CAS Number | 297743-27-2 |
|---|---|
| SMILES | CC1=C(NN(C1=O)C2=CC=C(C=C2)C(=O)O)C |
Product Overview
4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid (CAS 297743-27-2), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 4-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)benzoic acid.
Chemical Property Profile of 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid
Property Insights of 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid
The XLogP value of 1.48064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid. Following Lipinski's Rule of Five, 4-(5-Hydroxy-3,4-dimethyl-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-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid?
The CAS number of 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid is 297743-27-2.
What is the molecular formula of 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid?
The molecular formula of 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid is C12H12N2O3.
What is the molecular weight of 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid?
The molecular weight of 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid is 232.08 g/mol.
Where can I buy 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid?
You can request a quote for 4-(5-Hydroxy-3,4-dimethyl-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-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Hydroxy-3,4-dimethyl-pyrazol-1-yl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.