5-Bromo-2-(trifluoromethoxy)anisole
TL;DR: 5-Bromo-2-(trifluoromethoxy)anisole (CAS 672948-65-1) is a chemical compound with molecular formula C8H6BrF3O2 and molecular weight 269.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-methoxy-1-(trifluoromethoxy)benzene
Also Known As: 5-Bromo-2-(trifluoromethoxy)anisole, 4-bromo-2-methoxy-1-(trifluoromethoxy)benzene, Benzene, 4-bromo-2-methoxy-1-(trifluoromethoxy)-, 5-Bromo-2-(trifluoromethoxy)anisole, 97%
| Molecular Formula | C8H6BrF3O2 |
|---|---|
| Molecular Weight | 269.95 g/mol |
| LogP | 3.3563 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.95032 |
| Heavy Atoms | 14 |
| Complexity | 324.8527 |
Chemical Identifiers
| CAS Number | 672948-65-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)Br)OC(F)(F)F |
Product Overview
5-Bromo-2-(trifluoromethoxy)anisole (CAS 672948-65-1), with molecular formula C8H6BrF3O2 and molecular weight 269.95 g/mol. IUPAC: 4-bromo-2-methoxy-1-(trifluoromethoxy)benzene.
Chemical Property Profile of 5-Bromo-2-(trifluoromethoxy)anisole
Property Insights of 5-Bromo-2-(trifluoromethoxy)anisole
The XLogP value of 3.3563 indicates that 5-Bromo-2-(trifluoromethoxy)anisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, 5-Bromo-2-(trifluoromethoxy)anisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-(trifluoromethoxy)anisole has 0 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 5-Bromo-2-(trifluoromethoxy)anisole?
The CAS number of 5-Bromo-2-(trifluoromethoxy)anisole is 672948-65-1.
What is the molecular formula of 5-Bromo-2-(trifluoromethoxy)anisole?
The molecular formula of 5-Bromo-2-(trifluoromethoxy)anisole is C8H6BrF3O2.
What is the molecular weight of 5-Bromo-2-(trifluoromethoxy)anisole?
The molecular weight of 5-Bromo-2-(trifluoromethoxy)anisole is 269.95 g/mol.
Where can I buy 5-Bromo-2-(trifluoromethoxy)anisole?
You can request a quote for 5-Bromo-2-(trifluoromethoxy)anisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-(trifluoromethoxy)anisole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-(trifluoromethoxy)anisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.