![4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid structure](/static/products/3763/376372-41-7.webp)
4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
TL;DR: 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid (CAS 376372-41-7) is a chemical compound with molecular formula C13H13BrN2O2 and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
Also Known As: 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid, 4-((4-bromo-3,5-dimethyl-1h-pyrazol-1-yl)methyl)benzoic acid, 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid, 4-(4-Bromo-3,5-dimethyl-pyrazol-1-ylmethyl)-benzoic acid, 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic Acid
| Molecular Formula | C13H13BrN2O2 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 3.00894 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.01605 |
| Heavy Atoms | 18 |
| Complexity | 587.7839 |
Chemical Identifiers
| CAS Number | 376372-41-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)O)C)Br |
Product Overview
4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid (CAS 376372-41-7), with molecular formula C13H13BrN2O2 and molecular weight 308.02 g/mol. IUPAC: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid.
Chemical Property Profile of 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
Property Insights of 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
The XLogP value of 3.00894 indicates that 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid has 1 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-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid?
The CAS number of 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid is 376372-41-7.
What is the molecular formula of 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid?
The molecular formula of 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid is C13H13BrN2O2.
What is the molecular weight of 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid?
The molecular weight of 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid is 308.02 g/mol.
Where can I buy 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid?
You can request a quote for 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]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-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.