![ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate structure](/static/products/5128/512809-71-1.webp)
ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate
TL;DR: ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate (CAS 512809-71-1) is a chemical compound with molecular formula C9H11BrF2N2O2 and molecular weight 296.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetate
Also Known As: ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate, Ethyl 2-(4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetate, Ethyl 2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]acetate, ethyl 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetate, ethyl 2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate
| Molecular Formula | C9H11BrF2N2O2 |
|---|---|
| Molecular Weight | 296.00 g/mol |
| LogP | 2.45472 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.9972 |
| Heavy Atoms | 16 |
| Complexity | 393.10587 |
Chemical Identifiers
| CAS Number | 512809-71-1 |
|---|---|
| SMILES | CCOC(=O)CN1C(=C(C(=N1)C(F)F)Br)C |
Product Overview
ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate (CAS 512809-71-1), with molecular formula C9H11BrF2N2O2 and molecular weight 296.00 g/mol. IUPAC: ethyl 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetate.
Chemical Property Profile of ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate
Property Insights of ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate
The XLogP value of 2.45472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate. With a topological polar surface area (TPSA) of 44.12 Ų, ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate has 0 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 ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate?
The CAS number of ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate is 512809-71-1.
What is the molecular formula of ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate?
The molecular formula of ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate is C9H11BrF2N2O2.
What is the molecular weight of ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate?
The molecular weight of ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate is 296.00 g/mol.
Where can I buy ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate?
You can request a quote for ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.