![3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid structure](/static/products/100/1001518-85-9.png)
3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
TL;DR: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid (CAS 1001518-85-9) is a chemical compound with molecular formula C8H8BrF3N2O2 and molecular weight 299.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
Also Known As: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid, 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic Acid, 3-(4-BROMO-5-METHYL-3-TRIFLUOROMETHYL-PYRAZOL-1-YL)-PROPIONIC ACID, 3-(4-Bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanoic acid, 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]propanoic acid
| Molecular Formula | C8H8BrF3N2O2 |
|---|---|
| Molecular Weight | 299.97 g/mol |
| LogP | 2.44752 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.9721 |
| Heavy Atoms | 16 |
| Complexity | 414.1513 |
Chemical Identifiers
| CAS Number | 1001518-85-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CCC(=O)O)C(F)(F)F)Br |
Product Overview
3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid (CAS 1001518-85-9), with molecular formula C8H8BrF3N2O2 and molecular weight 299.97 g/mol. IUPAC: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.
Chemical Property Profile of 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
Property Insights of 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
The XLogP value of 2.44752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic 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 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid?
The CAS number of 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid is 1001518-85-9.
What is the molecular formula of 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid?
The molecular formula of 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid is C8H8BrF3N2O2.
What is the molecular weight of 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid?
The molecular weight of 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid is 299.97 g/mol.
Where can I buy 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid?
You can request a quote for 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic 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-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.