2,2,4'-Tribromoacetophenone
TL;DR: 2,2,4'-Tribromoacetophenone (CAS 13195-79-4) is a chemical compound with molecular formula C8H5Br3O and molecular weight 353.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibromo-1-(4-bromophenyl)ethanone
Also Known As: 2,2,4'-Tribromoacetophenone, 2,2-Dibromo-1-(4-bromophenyl)ethanone, 2,2-Dibromo-1-(4-bromophenyl)ethan-1-one, Ethanone, 2,2-dibromo-1-(4-bromophenyl)-, 4alpha,alpha-Tribromoacetophenone
| Molecular Formula | C8H5Br3O |
|---|---|
| Molecular Weight | 353.79 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.787 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 13195-79-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C(Br)Br)Br |
| InChIKey | KFTUNOVZJWIKFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4'-Tribromoacetophenone (CAS 13195-79-4), with molecular formula C8H5Br3O and molecular weight 353.79 g/mol. IUPAC: 2,2-dibromo-1-(4-bromophenyl)ethanone.
Chemical Property Profile of 2,2,4'-Tribromoacetophenone
Property Insights of 2,2,4'-Tribromoacetophenone
The XLogP value of 4.1 indicates that 2,2,4'-Tribromoacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2,4'-Tribromoacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4'-Tribromoacetophenone 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 2,2,4'-Tribromoacetophenone?
The CAS number of 2,2,4'-Tribromoacetophenone is 13195-79-4.
What is the molecular formula of 2,2,4'-Tribromoacetophenone?
The molecular formula of 2,2,4'-Tribromoacetophenone is C8H5Br3O.
What is the molecular weight of 2,2,4'-Tribromoacetophenone?
The molecular weight of 2,2,4'-Tribromoacetophenone is 353.79 g/mol.
Where can I buy 2,2,4'-Tribromoacetophenone?
You can request a quote for 2,2,4'-Tribromoacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4'-Tribromoacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4'-Tribromoacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.