2-Bromo-1-mesitylethanone
TL;DR: 2-Bromo-1-mesitylethanone (CAS 5416-00-2) is a chemical compound with molecular formula C11H13BrO and molecular weight 240.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-(2,4,6-trimethylphenyl)ethanone
Also Known As: 2-bromo-1-mesitylethanone, 2-bromo-1-(2,4,6-trimethylphenyl)ethanone, 2-bromo-1-mesitylethan-1-one, 2,4,6-trimethylphenacyl bromide, 2-Bromo-1-(2,4,6-trimethyl-phenyl)-ethanone
| Molecular Formula | C11H13BrO |
|---|---|
| Molecular Weight | 240.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.01498 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 5416-00-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)CBr)C |
| InChIKey | HRAZXKYOYNRVMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1-mesitylethanone (CAS 5416-00-2), with molecular formula C11H13BrO and molecular weight 240.01 g/mol. IUPAC: 2-bromo-1-(2,4,6-trimethylphenyl)ethanone.
Chemical Property Profile of 2-Bromo-1-mesitylethanone
Property Insights of 2-Bromo-1-mesitylethanone
The XLogP value of 3.5 indicates that 2-Bromo-1-mesitylethanone 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-Bromo-1-mesitylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-mesitylethanone 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-1-mesitylethanone?
The CAS number of 2-Bromo-1-mesitylethanone is 5416-00-2.
What is the molecular formula of 2-Bromo-1-mesitylethanone?
The molecular formula of 2-Bromo-1-mesitylethanone is C11H13BrO.
What is the molecular weight of 2-Bromo-1-mesitylethanone?
The molecular weight of 2-Bromo-1-mesitylethanone is 240.01 g/mol.
Where can I buy 2-Bromo-1-mesitylethanone?
You can request a quote for 2-Bromo-1-mesitylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-mesitylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-mesitylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.