2,4,6-三甲基溴苯
TL;DR: 2,4,6-三甲基溴苯 (CAS 576-83-0) is a chemical compound with molecular formula C9H11Br and molecular weight 198.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-三甲基溴苯
2-bromo-1,3,5-trimethylbenzene
Also Known As: 2-Bromomesitylene, 2,4,6-Trimethylbromobenzene, Mesityl bromide, Bromomesitylene, 2-Bromo-1,3,5-trimethylbenzene
| Molecular Formula | C9H11Br |
|---|---|
| Molecular Weight | 198.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.00441 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| Melting Point | -1 °C |
| Boiling Point | 225 °C @760 [mm Hg] |
| Density | 1.301 @25 °C |
Chemical Identifiers
| CAS Number | 576-83-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)Br)C |
| InChIKey | RRTLQRYOJOSPEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-三甲基溴苯 (CAS 576-83-0), with molecular formula C9H11Br and molecular weight 198.00 g/mol. IUPAC: 2-bromo-1,3,5-trimethylbenzene.
Chemical Property Profile of 2,4,6-三甲基溴苯
Property Insights of 2,4,6-三甲基溴苯
The XLogP value of 3.7 indicates that 2,4,6-三甲基溴苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4,6-三甲基溴苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-三甲基溴苯 has 0 hydrogen bond donor(s) and 0 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 2,4,6-三甲基溴苯?
The CAS number of 2,4,6-三甲基溴苯 is 576-83-0.
What is the molecular formula of 2,4,6-三甲基溴苯?
The molecular formula of 2,4,6-三甲基溴苯 is C9H11Br.
What is the molecular weight of 2,4,6-三甲基溴苯?
The molecular weight of 2,4,6-三甲基溴苯 is 198.00 g/mol.
Where can I buy 2,4,6-三甲基溴苯?
You can request a quote for 2,4,6-三甲基溴苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-三甲基溴苯?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-三甲基溴苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.