4-Fluorophenacyl bromide
TL;DR: 4-Fluorophenacyl bromide (CAS 112368-54-4) is a chemical compound with molecular formula C8H6BrFO and molecular weight 214.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(4-fluorophenyl)ethanone
Also Known As: 4-Fluorophenacyl bromide, (18F) 4-Fluorophenacyl bromide, p-Fluorophenacyl bromide, 2-bromo-1-(4-fluoranylphenyl)ethanone, 2-Bromo-1-(4-(fluoro-18F)phenyl)ethanone
| Molecular Formula | C8H6BrFO |
|---|---|
| Molecular Weight | 214.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.96114 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 112368-54-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CBr)[18F] |
| InChIKey | ZJFWCELATJMDNO-LMANFOLPSA-N |
Product Overview
4-Fluorophenacyl bromide (CAS 112368-54-4), with molecular formula C8H6BrFO and molecular weight 214.96 g/mol. IUPAC: 2-bromo-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 4-Fluorophenacyl bromide
Property Insights of 4-Fluorophenacyl bromide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorophenacyl bromide. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Fluorophenacyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenacyl 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 4-Fluorophenacyl bromide?
The CAS number of 4-Fluorophenacyl bromide is 112368-54-4.
What is the molecular formula of 4-Fluorophenacyl bromide?
The molecular formula of 4-Fluorophenacyl bromide is C8H6BrFO.
What is the molecular weight of 4-Fluorophenacyl bromide?
The molecular weight of 4-Fluorophenacyl bromide is 214.96 g/mol.
Where can I buy 4-Fluorophenacyl bromide?
You can request a quote for 4-Fluorophenacyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenacyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenacyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.