![2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone structure](/static/products/4000/400079-65-4.webp)
2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone
TL;DR: 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone (CAS 400079-65-4) is a chemical compound with molecular formula C12H7BrF3NO2 and molecular weight 332.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanone
Also Known As: 2M-532S, 2-bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone, 2-bromo-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanone, 2-bromo-1-{3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl}ethan-1-one
| Molecular Formula | C12H7BrF3NO2 |
|---|---|
| Molecular Weight | 332.96 g/mol |
| LogP | 3.938 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.96124 |
| Heavy Atoms | 19 |
| Complexity | 607.0171 |
Chemical Identifiers
| CAS Number | 400079-65-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=NOC(=C2)C(=O)CBr |
Product Overview
2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone (CAS 400079-65-4), with molecular formula C12H7BrF3NO2 and molecular weight 332.96 g/mol. IUPAC: 2-bromo-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanone.
Chemical Property Profile of 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone
Property Insights of 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone
The XLogP value of 3.938 indicates that 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone 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 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone?
The CAS number of 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone is 400079-65-4.
What is the molecular formula of 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone?
The molecular formula of 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone is C12H7BrF3NO2.
What is the molecular weight of 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone?
The molecular weight of 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone is 332.96 g/mol.
Where can I buy 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone?
You can request a quote for 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-{3-[3-(trifluoromethyl)phenyl]-5-isoxazolyl}-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.