3-(Difluoromethoxy)benzyl bromide
TL;DR: 3-(Difluoromethoxy)benzyl bromide (CAS 2613-27-6) is a chemical compound with molecular formula C8H7BrF2O and molecular weight 235.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-3-(difluoromethoxy)benzene
Also Known As: 3-(Difluoromethoxy)benzyl bromide, 1-(bromomethyl)-3-(difluoromethoxy)benzene, Strictosamide, 3- BENZYLBROMIDE, 1-bromomethyl-3-(difluoromethoxy)benzene
| Molecular Formula | C8H7BrF2O |
|---|---|
| Molecular Weight | 235.96 g/mol |
| LogP | 3.1829 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.96483 |
| Heavy Atoms | 12 |
| Complexity | 252.5681 |
Chemical Identifiers
| CAS Number | 2613-27-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)F)CBr |
Product Overview
3-(Difluoromethoxy)benzyl bromide (CAS 2613-27-6), with molecular formula C8H7BrF2O and molecular weight 235.96 g/mol. IUPAC: 1-(bromomethyl)-3-(difluoromethoxy)benzene.
Chemical Property Profile of 3-(Difluoromethoxy)benzyl bromide
Property Insights of 3-(Difluoromethoxy)benzyl bromide
The XLogP value of 3.1829 indicates that 3-(Difluoromethoxy)benzyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 3-(Difluoromethoxy)benzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Difluoromethoxy)benzyl 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 3-(Difluoromethoxy)benzyl bromide?
The CAS number of 3-(Difluoromethoxy)benzyl bromide is 2613-27-6.
What is the molecular formula of 3-(Difluoromethoxy)benzyl bromide?
The molecular formula of 3-(Difluoromethoxy)benzyl bromide is C8H7BrF2O.
What is the molecular weight of 3-(Difluoromethoxy)benzyl bromide?
The molecular weight of 3-(Difluoromethoxy)benzyl bromide is 235.96 g/mol.
Where can I buy 3-(Difluoromethoxy)benzyl bromide?
You can request a quote for 3-(Difluoromethoxy)benzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Difluoromethoxy)benzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Difluoromethoxy)benzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.