1-Bromo-4-(fluoromethyl)benzene
TL;DR: 1-Bromo-4-(fluoromethyl)benzene (CAS 459-49-4) 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-bromo-4-(fluoromethyl)benzene
Also Known As: 1-bromo-4-(fluoromethyl)benzene, 4-bromobenzyl fluoride, 1-BroMo-4-(fluoroMethyl)-benzene, 1-Bromo-4-fluoromethyl-benzene, benzene, 1-bromo-4-(fluoromethyl)-
| Molecular Formula | C7H6BrF |
|---|---|
| Molecular Weight | 187.96 g/mol |
| LogP | 3.0 |
| 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 | 459-49-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CF)Br |
| InChIKey | LFTYKVGDROWKQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-4-(fluoromethyl)benzene (CAS 459-49-4), with molecular formula C7H6BrF and molecular weight 187.96 g/mol. IUPAC: 1-bromo-4-(fluoromethyl)benzene.
Chemical Property Profile of 1-Bromo-4-(fluoromethyl)benzene
Property Insights of 1-Bromo-4-(fluoromethyl)benzene
The XLogP value of 3.0 indicates that 1-Bromo-4-(fluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-4-(fluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-(fluoromethyl)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-4-(fluoromethyl)benzene?
The CAS number of 1-Bromo-4-(fluoromethyl)benzene is 459-49-4.
What is the molecular formula of 1-Bromo-4-(fluoromethyl)benzene?
The molecular formula of 1-Bromo-4-(fluoromethyl)benzene is C7H6BrF.
What is the molecular weight of 1-Bromo-4-(fluoromethyl)benzene?
The molecular weight of 1-Bromo-4-(fluoromethyl)benzene is 187.96 g/mol.
Where can I buy 1-Bromo-4-(fluoromethyl)benzene?
You can request a quote for 1-Bromo-4-(fluoromethyl)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-4-(fluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-(fluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.