1-(Bromomethyl)-2,3,4-trimethylbenzene
TL;DR: 1-(Bromomethyl)-2,3,4-trimethylbenzene (CAS 158549-30-5) is a chemical compound with molecular formula C10H13Br and molecular weight 212.02007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(bromomethyl)-2,3,4-trimethylbenzene
Also Known As: bromoprehnitene, 1-(Bromomethyl)-2,3,4-trimethylbenzene, 1-(bromomethyl)-2,3,4-trimethyl-benzene
Technical Specifications
| Molecular Formula | C10H13Br |
| Molecular Weight | 212.02007 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.02007 Da |
| Heavy Atoms | 11 |
| Complexity | 122.0 |
| SMILES | CC1=C(C(=C(C=C1)CBr)C)C |
| InChIKey | FJVNGXCGSWJLTJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Bromomethyl)-2,3,4-trimethylbenzene
Property Insights of 1-(Bromomethyl)-2,3,4-trimethylbenzene
The XLogP value of 4.2 indicates that 1-(Bromomethyl)-2,3,4-trimethylbenzene 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-(Bromomethyl)-2,3,4-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromomethyl)-2,3,4-trimethylbenzene 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-(Bromomethyl)-2,3,4-trimethylbenzene?
The CAS number of 1-(Bromomethyl)-2,3,4-trimethylbenzene is 158549-30-5.
What is the molecular formula of 1-(Bromomethyl)-2,3,4-trimethylbenzene?
The molecular formula of 1-(Bromomethyl)-2,3,4-trimethylbenzene is C10H13Br.
What is the molecular weight of 1-(Bromomethyl)-2,3,4-trimethylbenzene?
The molecular weight of 1-(Bromomethyl)-2,3,4-trimethylbenzene is 212.02007 g/mol.
Where can I buy 1-(Bromomethyl)-2,3,4-trimethylbenzene?
You can request a quote for 1-(Bromomethyl)-2,3,4-trimethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Bromomethyl)-2,3,4-trimethylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-(Bromomethyl)-2,3,4-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.