3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid
TL;DR: 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid (CAS 93404-33-2) 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-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid
Also Known As: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid, 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid, 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid, beta-Trifluoromethylcrotonic acid, BAS 01577957
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 93404-33-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC=CC(=C2)C(=O)O |
| InChIKey | ZAHMVJOIEBCBPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid (CAS 93404-33-2), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid.
Chemical Property Profile of 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid
Property Insights of 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid. Following Lipinski's Rule of Five, 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic 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 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid?
The CAS number of 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid is 93404-33-2.
What is the molecular formula of 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid?
The molecular formula of 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid is C11H10N2O3.
What is the molecular weight of 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid?
The molecular weight of 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid is 218.07 g/mol.
Where can I buy 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid?
You can request a quote for 3-(3-Methyl-5-oxo-4,5-dihydro-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-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.