3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid
TL;DR: 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid (CAS 3214-12-8) 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-bromopyrazol-1-yl)methyl]benzoic acid
Also Known As: 3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoic acid, 3-[(4-bromopyrazol-1-yl)methyl]benzoic acid, 3-(4-Bromo-pyrazol-1-ylmethyl)-benzoic acid, 3-((4-bromo-1h-pyrazol-1-yl)methyl)benzoic acid, 5,6-Dimethoxy-1,3-benzodioxole
| Molecular Formula | C11H9BrN2O2 |
|---|---|
| Molecular Weight | 279.98 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.98474 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 3214-12-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CN2C=C(C=N2)Br |
| InChIKey | FLRLBZZSTIBJFM-UHFFFAOYSA-N |
Product Overview
3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid (CAS 3214-12-8), with molecular formula C11H9BrN2O2 and molecular weight 279.98 g/mol. IUPAC: 3-[(4-bromopyrazol-1-yl)methyl]benzoic acid.
Chemical Property Profile of 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid
Property Insights of 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid has 1 hydrogen bond donor(s) and 3 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-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid?
The CAS number of 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid is 3214-12-8.
What is the molecular formula of 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid?
The molecular formula of 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid is C11H9BrN2O2.
What is the molecular weight of 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid?
The molecular weight of 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid is 279.98 g/mol.
Where can I buy 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid?
You can request a quote for 3-((4-bromo-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 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.