4-Fluorobenzyl bromide
TL;DR: 4-Fluorobenzyl bromide (CAS 459-46-1) is a chemical compound with molecular formula C7H6BrF and molecular weight 187.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(bromomethyl)-4-fluorobenzene
Also Known As: 4-Fluorobenzyl bromide, 1-(Bromomethyl)-4-fluorobenzene, p-Fluorobenzyl bromide, 4-fluorobenzylbromide, alpha-Bromo-4-fluorotoluene
| Molecular Formula | C7H6BrF |
|---|---|
| Molecular Weight | 187.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.96368 |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 459-46-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CBr)F |
| InChIKey | NVNPLEPBDPJYRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorobenzyl bromide (CAS 459-46-1), with molecular formula C7H6BrF and molecular weight 187.96 g/mol. IUPAC: 1-(bromomethyl)-4-fluorobenzene.
Chemical Property Profile of 4-Fluorobenzyl bromide
Property Insights of 4-Fluorobenzyl bromide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobenzyl bromide. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Fluorobenzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobenzyl 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 4-Fluorobenzyl bromide?
The CAS number of 4-Fluorobenzyl bromide is 459-46-1.
What is the molecular formula of 4-Fluorobenzyl bromide?
The molecular formula of 4-Fluorobenzyl bromide is C7H6BrF.
What is the molecular weight of 4-Fluorobenzyl bromide?
The molecular weight of 4-Fluorobenzyl bromide is 187.96 g/mol.
Where can I buy 4-Fluorobenzyl bromide?
You can request a quote for 4-Fluorobenzyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorobenzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorobenzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.