2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide
TL;DR: 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide (CAS 496052-53-0) is a chemical compound with molecular formula C9H6BrF3O3 and molecular weight 297.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone
Also Known As: 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide, 2-bromo-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone, 2-Bromo-1-(2-hydroxy-5-(trifluoromethoxy)phenyl)ethan-1-one, 2-Bromo-2'-hydroxy-5'-(trifluoromethoxy)acetophenone, 2-bromo-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethan-1-one
| Molecular Formula | C9H6BrF3O3 |
|---|---|
| Molecular Weight | 297.95 g/mol |
| LogP | 2.8684 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.94525 |
| Heavy Atoms | 16 |
| Complexity | 403.47595 |
Chemical Identifiers
| CAS Number | 496052-53-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC(F)(F)F)C(=O)CBr)O |
Product Overview
2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide (CAS 496052-53-0), with molecular formula C9H6BrF3O3 and molecular weight 297.95 g/mol. IUPAC: 2-bromo-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone.
Chemical Property Profile of 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide
Property Insights of 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide
The XLogP value of 2.8684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide. With a topological polar surface area (TPSA) of 46.53 Ų, 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide 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 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide?
The CAS number of 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide is 496052-53-0.
What is the molecular formula of 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide?
The molecular formula of 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide is C9H6BrF3O3.
What is the molecular weight of 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide?
The molecular weight of 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide is 297.95 g/mol.
Where can I buy 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide?
You can request a quote for 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-5-(trifluoromethoxy)phenacyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.