Ethanone, 2,2,2-tribromo-1-phenyl-
TL;DR: Ethanone, 2,2,2-tribromo-1-phenyl- (CAS 7402-45-1) 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.
2,2,2-tribromo-1-phenylethanone
Also Known As: tribromoacetophenone, Ethanone, 2,2,2-tribromo-1-phenyl-, 2,2,2-tribromo-1-phenylethanone, 2,2,2-tribromo-1-phenylethan-1-one, alpha,alpha,alpha-tribromoacetophenone
| Molecular Formula | C8H5Br3O |
|---|---|
| Molecular Weight | 353.79 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.787 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 7402-45-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(Br)(Br)Br |
| InChIKey | WHTZQYDVDPHTAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 2,2,2-tribromo-1-phenyl- (CAS 7402-45-1), with molecular formula C8H5Br3O and molecular weight 353.79 g/mol. IUPAC: 2,2,2-tribromo-1-phenylethanone.
Chemical Property Profile of Ethanone, 2,2,2-tribromo-1-phenyl-
Property Insights of Ethanone, 2,2,2-tribromo-1-phenyl-
The XLogP value of 4.0 indicates that Ethanone, 2,2,2-tribromo-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Ethanone, 2,2,2-tribromo-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 2,2,2-tribromo-1-phenyl- 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 Ethanone, 2,2,2-tribromo-1-phenyl-?
The CAS number of Ethanone, 2,2,2-tribromo-1-phenyl- is 7402-45-1.
What is the molecular formula of Ethanone, 2,2,2-tribromo-1-phenyl-?
The molecular formula of Ethanone, 2,2,2-tribromo-1-phenyl- is C8H5Br3O.
What is the molecular weight of Ethanone, 2,2,2-tribromo-1-phenyl-?
The molecular weight of Ethanone, 2,2,2-tribromo-1-phenyl- is 353.79 g/mol.
Where can I buy Ethanone, 2,2,2-tribromo-1-phenyl-?
You can request a quote for Ethanone, 2,2,2-tribromo-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2,2,2-tribromo-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2,2,2-tribromo-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.