5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid
TL;DR: 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid (CAS 1038899-54-5) is a chemical compound with molecular formula C11H9BrN2O2 and molecular weight 279.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid, 3-(4-bromo-3-methylphenyl)-1H-pyrazole-5-carboxylic acid, 5-(4-bromo-3-methyl-phenyl)-2H-pyrazole-3-carboxylic Acid
| Molecular Formula | C11H9BrN2O2 |
|---|---|
| Molecular Weight | 279.98 g/mol |
| LogP | 2.84582 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.98474 |
| Heavy Atoms | 16 |
| Complexity | 548.6676 |
Chemical Identifiers
| CAS Number | 1038899-54-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NNC(=C2)C(=O)O)Br |
Product Overview
5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid (CAS 1038899-54-5), with molecular formula C11H9BrN2O2 and molecular weight 279.98 g/mol. IUPAC: 3-(4-bromo-3-methylphenyl)-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid
Property Insights of 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid
The XLogP value of 2.84582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic 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 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid is 1038899-54-5.
What is the molecular formula of 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid is C11H9BrN2O2.
What is the molecular weight of 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid is 279.98 g/mol.
Where can I buy 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-bromo-3-methylphenyl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.