2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
TL;DR: 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid (CAS 299405-26-8) is a chemical compound with molecular formula C7H6BrF3N2O2 and molecular weight 285.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
Also Known As: [4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid|2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid|BAS 00398030|2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid|2-(4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid|(4-Bromo-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid|AG-219/36042011|AG-690/11352004|BRD-K63395314-001-01-2|[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid|1H-Pyrazole-1-acetic acid, 4-bromo-5-methyl-3-(trifluoromethyl)-|2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]acetic acid|2-4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylacetic acid|2-(4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)aceticacid|869-353-3|RefChem:456975|MFCD00682551|DHXFUPHNMRHCSK-UHFFFAOYSA-N|ALBB-009753|EN300-83587
| Molecular Formula | C7H6BrF3N2O2 |
|---|---|
| Molecular Weight | 285.96 g/mol |
| LogP | 2.05742 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.95648 |
| Heavy Atoms | 15 |
| Complexity | 399.67493 |
Chemical Identifiers
| CAS Number | 299405-26-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)O)C(F)(F)F)Br |
Product Overview
2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid (CAS 299405-26-8), with molecular formula C7H6BrF3N2O2 and molecular weight 285.96 g/mol. IUPAC: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.
Chemical Property Profile of 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
Property Insights of 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
The XLogP value of 2.05742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic 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 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid?
The CAS number of 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid is 299405-26-8.
What is the molecular formula of 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid?
The molecular formula of 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid is C7H6BrF3N2O2.
What is the molecular weight of 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid?
The molecular weight of 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid is 285.96 g/mol.
Where can I buy 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid?
You can request a quote for 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.