3,5-Difluorobenzyl bromide
TL;DR: 3,5-Difluorobenzyl bromide (CAS 141776-91-2) is a chemical compound with molecular formula C7H5BrF2 and molecular weight 205.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-3,5-difluorobenzene
Also Known As: 3,5-Difluorobenzyl bromide, 1-(Bromomethyl)-3,5-difluorobenzene, 3,5-difluorobenzylbromide, Benzene, 1-(bromomethyl)-3,5-difluoro-, alpha-Bromo-3,5-difluorotoluene
| Molecular Formula | C7H5BrF2 |
|---|---|
| Molecular Weight | 205.95 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.95427 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 141776-91-2 |
|---|---|
| SMILES | C1=C(C=C(C=C1F)F)CBr |
| InChIKey | KVSVNRFSKRFPIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Difluorobenzyl bromide (CAS 141776-91-2), with molecular formula C7H5BrF2 and molecular weight 205.95 g/mol. IUPAC: 1-(bromomethyl)-3,5-difluorobenzene.
Chemical Property Profile of 3,5-Difluorobenzyl bromide
Property Insights of 3,5-Difluorobenzyl bromide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Difluorobenzyl bromide. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Difluorobenzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Difluorobenzyl bromide 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 3,5-Difluorobenzyl bromide?
The CAS number of 3,5-Difluorobenzyl bromide is 141776-91-2.
What is the molecular formula of 3,5-Difluorobenzyl bromide?
The molecular formula of 3,5-Difluorobenzyl bromide is C7H5BrF2.
What is the molecular weight of 3,5-Difluorobenzyl bromide?
The molecular weight of 3,5-Difluorobenzyl bromide is 205.95 g/mol.
Where can I buy 3,5-Difluorobenzyl bromide?
You can request a quote for 3,5-Difluorobenzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Difluorobenzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Difluorobenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.