1-Bromo-3-methyl-5-(trifluoromethoxy)benzene
TL;DR: 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene (CAS 887266-91-3) is a chemical compound with molecular formula C8H6BrF3O and molecular weight 253.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-methyl-5-(trifluoromethoxy)benzene
Also Known As: 1-bromo-3-methyl-5-(trifluoromethoxy)benzene, 3-Bromo-5-(trifluoromethoxy)toluene, 3-bromo-5-methyl-(trifluoromethoxy)benzene, 3-Bromo-5-methylphenyl trifluoromethyl ether, 3-bromo-5-methyl-1-(trifluoromethoxy)benzene
| Molecular Formula | C8H6BrF3O |
|---|---|
| Molecular Weight | 253.96 g/mol |
| LogP | 3.65612 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.95541 |
| Heavy Atoms | 13 |
| Complexity | 288.4977 |
Chemical Identifiers
| CAS Number | 887266-91-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)Br)OC(F)(F)F |
Product Overview
1-Bromo-3-methyl-5-(trifluoromethoxy)benzene (CAS 887266-91-3), with molecular formula C8H6BrF3O and molecular weight 253.96 g/mol. IUPAC: 1-bromo-3-methyl-5-(trifluoromethoxy)benzene.
Chemical Property Profile of 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene
Property Insights of 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene
The XLogP value of 3.65612 indicates that 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene has 0 hydrogen bond donor(s) and 1 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 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene?
The CAS number of 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene is 887266-91-3.
What is the molecular formula of 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene?
The molecular formula of 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene is C8H6BrF3O.
What is the molecular weight of 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene?
The molecular weight of 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene is 253.96 g/mol.
Where can I buy 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene?
You can request a quote for 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3-methyl-5-(trifluoromethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.