1-(2-Bromoethyl)-2-methylbenzene
TL;DR: 1-(2-Bromoethyl)-2-methylbenzene (CAS 16793-90-1) is a chemical compound with molecular formula C9H11Br and molecular weight 198.00441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-bromoethyl)-2-methylbenzene
Also Known As: 1-(2-bromoethyl)-2-methylbenzene, 2-methylphenethyl bromide, 2-(2-Bromoethyl)toluene, Benzene, 1-(2-bromoethyl)-2-methyl-, 2-methylphenethylbromide
Technical Specifications
| Molecular Formula | C9H11Br |
| Molecular Weight | 198.00441 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.00441 Da |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
| SMILES | CC1=CC=CC=C1CCBr |
| InChIKey | PZXWZXNXBNIAHO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Bromoethyl)-2-methylbenzene
Property Insights of 1-(2-Bromoethyl)-2-methylbenzene
The XLogP value of 3.8 indicates that 1-(2-Bromoethyl)-2-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(2-Bromoethyl)-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromoethyl)-2-methylbenzene 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
What is the CAS number of 1-(2-Bromoethyl)-2-methylbenzene?
The CAS number of 1-(2-Bromoethyl)-2-methylbenzene is 16793-90-1.
What is the molecular formula of 1-(2-Bromoethyl)-2-methylbenzene?
The molecular formula of 1-(2-Bromoethyl)-2-methylbenzene is C9H11Br.
What is the molecular weight of 1-(2-Bromoethyl)-2-methylbenzene?
The molecular weight of 1-(2-Bromoethyl)-2-methylbenzene is 198.00441 g/mol.
Where can I buy 1-(2-Bromoethyl)-2-methylbenzene?
You can request a quote for 1-(2-Bromoethyl)-2-methylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Bromoethyl)-2-methylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-(2-Bromoethyl)-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.