2,6-Bis(trifluoromethyl)phenacyl bromide
TL;DR: 2,6-Bis(trifluoromethyl)phenacyl bromide (CAS 886762-01-2) is a chemical compound with molecular formula C10H5BrF6O and molecular weight 333.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-bis(trifluoromethyl)phenyl]-2-bromoethanone
Also Known As: 2,6-Bis(trifluoromethyl)phenacyl bromide, 1-[2,6-bis(trifluoromethyl)phenyl]-2-bromoethanone, 2',6'-Bis(trifluoromethyl)phenacyl bromide, 2',6'-Bis(trifluoromethyl)-2-bromoacetophenone, 1-[2,6-bis(trifluoromethyl)phenyl]-2-bromo-ethanone
| Molecular Formula | C10H5BrF6O |
|---|---|
| Molecular Weight | 333.94 g/mol |
| LogP | 4.3018 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.9428 |
| Heavy Atoms | 18 |
| Complexity | 430.1662 |
Chemical Identifiers
| CAS Number | 886762-01-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(F)(F)F)C(=O)CBr)C(F)(F)F |
Product Overview
2,6-Bis(trifluoromethyl)phenacyl bromide (CAS 886762-01-2), with molecular formula C10H5BrF6O and molecular weight 333.94 g/mol. IUPAC: 1-[2,6-bis(trifluoromethyl)phenyl]-2-bromoethanone.
Chemical Property Profile of 2,6-Bis(trifluoromethyl)phenacyl bromide
Property Insights of 2,6-Bis(trifluoromethyl)phenacyl bromide
The XLogP value of 4.3018 indicates that 2,6-Bis(trifluoromethyl)phenacyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2,6-Bis(trifluoromethyl)phenacyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Bis(trifluoromethyl)phenacyl bromide 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 2,6-Bis(trifluoromethyl)phenacyl bromide?
The CAS number of 2,6-Bis(trifluoromethyl)phenacyl bromide is 886762-01-2.
What is the molecular formula of 2,6-Bis(trifluoromethyl)phenacyl bromide?
The molecular formula of 2,6-Bis(trifluoromethyl)phenacyl bromide is C10H5BrF6O.
What is the molecular weight of 2,6-Bis(trifluoromethyl)phenacyl bromide?
The molecular weight of 2,6-Bis(trifluoromethyl)phenacyl bromide is 333.94 g/mol.
Where can I buy 2,6-Bis(trifluoromethyl)phenacyl bromide?
You can request a quote for 2,6-Bis(trifluoromethyl)phenacyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis(trifluoromethyl)phenacyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(trifluoromethyl)phenacyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.