1-Bromo-4-fluorobutane
TL;DR: 1-Bromo-4-fluorobutane (CAS 462-72-6) is a chemical compound with molecular formula C4H8BrF and molecular weight 153.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-fluorobutane
Also Known As: 1-Bromo-4-fluorobutane, 4-Fluorobutyl bromide, fluorobutyl bromide, 1-bromo-4-fluoro-butane, 4-fluoro-1-bromobutane
| Molecular Formula | C4H8BrF |
|---|---|
| Molecular Weight | 153.98 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.97934 |
| Heavy Atoms | 6 |
| Complexity | 23.0 |
Chemical Identifiers
| CAS Number | 462-72-6 |
|---|---|
| SMILES | C(CCBr)CF |
| InChIKey | WMCUHRDQSHQNRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-4-fluorobutane (CAS 462-72-6), with molecular formula C4H8BrF and molecular weight 153.98 g/mol. IUPAC: 1-bromo-4-fluorobutane.
Chemical Property Profile of 1-Bromo-4-fluorobutane
Property Insights of 1-Bromo-4-fluorobutane
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-4-fluorobutane. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-4-fluorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-fluorobutane 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-fluorobutane?
The CAS number of 1-Bromo-4-fluorobutane is 462-72-6.
What is the molecular formula of 1-Bromo-4-fluorobutane?
The molecular formula of 1-Bromo-4-fluorobutane is C4H8BrF.
What is the molecular weight of 1-Bromo-4-fluorobutane?
The molecular weight of 1-Bromo-4-fluorobutane is 153.98 g/mol.
Where can I buy 1-Bromo-4-fluorobutane?
You can request a quote for 1-Bromo-4-fluorobutane 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-fluorobutane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-fluorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.