2-Bromo-3'-chloro-4'-fluoroacetophenone
TL;DR: 2-Bromo-3'-chloro-4'-fluoroacetophenone (CAS 63529-30-6) is a chemical compound with molecular formula C8H5BrClFO and molecular weight 249.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(3-chloro-4-fluorophenyl)ethanone
Also Known As: 2-Bromo-1-(3-chloro-4-fluorophenyl)ethanone, 3-Chloro-4-fluorophenacyl bromide, 2-Bromo-3'-chloro-4'-fluoroacetophenone, 3-chloro-4-fluoro-phenacyl bromide, 2-bromo-1-(3-chloro-4-fluorophenyl)ethan-1-one
| Molecular Formula | C8H5BrClFO |
|---|---|
| Molecular Weight | 249.92 g/mol |
| LogP | 3.0567 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.91963 |
| Heavy Atoms | 12 |
| Complexity | 313.9262 |
Chemical Identifiers
| CAS Number | 63529-30-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)CBr)Cl)F |
Product Overview
2-Bromo-3'-chloro-4'-fluoroacetophenone (CAS 63529-30-6), with molecular formula C8H5BrClFO and molecular weight 249.92 g/mol. IUPAC: 2-bromo-1-(3-chloro-4-fluorophenyl)ethanone.
Chemical Property Profile of 2-Bromo-3'-chloro-4'-fluoroacetophenone
Property Insights of 2-Bromo-3'-chloro-4'-fluoroacetophenone
The XLogP value of 3.0567 indicates that 2-Bromo-3'-chloro-4'-fluoroacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Bromo-3'-chloro-4'-fluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3'-chloro-4'-fluoroacetophenone 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 2-Bromo-3'-chloro-4'-fluoroacetophenone?
The CAS number of 2-Bromo-3'-chloro-4'-fluoroacetophenone is 63529-30-6.
What is the molecular formula of 2-Bromo-3'-chloro-4'-fluoroacetophenone?
The molecular formula of 2-Bromo-3'-chloro-4'-fluoroacetophenone is C8H5BrClFO.
What is the molecular weight of 2-Bromo-3'-chloro-4'-fluoroacetophenone?
The molecular weight of 2-Bromo-3'-chloro-4'-fluoroacetophenone is 249.92 g/mol.
Where can I buy 2-Bromo-3'-chloro-4'-fluoroacetophenone?
You can request a quote for 2-Bromo-3'-chloro-4'-fluoroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3'-chloro-4'-fluoroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3'-chloro-4'-fluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.