2-Bromo-1,3,4-trimethylbenzene
TL;DR: 2-Bromo-1,3,4-trimethylbenzene (CAS 41381-36-6) 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-bromo-1,3,4-trimethylbenzene
Also Known As: Brompseudocumol, 2-bromo-1,3,4-trimethylbenzene, Brc1c(C)ccc(C)c1C, 2-bromo-1,3,4-trimethyl-benzene, RefChem:256723
| 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 | 111.0 |
Chemical Identifiers
| CAS Number | 41381-36-6 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)Br)C |
| InChIKey | RPEKBTJJOCWRNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1,3,4-trimethylbenzene (CAS 41381-36-6), with molecular formula C9H11Br and molecular weight 198.00 g/mol. IUPAC: 2-bromo-1,3,4-trimethylbenzene.
Chemical Property Profile of 2-Bromo-1,3,4-trimethylbenzene
Property Insights of 2-Bromo-1,3,4-trimethylbenzene
The XLogP value of 3.7 indicates that 2-Bromo-1,3,4-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, 2-Bromo-1,3,4-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1,3,4-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
Frequently Asked Questions
What is the CAS number of 2-Bromo-1,3,4-trimethylbenzene?
The CAS number of 2-Bromo-1,3,4-trimethylbenzene is 41381-36-6.
What is the molecular formula of 2-Bromo-1,3,4-trimethylbenzene?
The molecular formula of 2-Bromo-1,3,4-trimethylbenzene is C9H11Br.
What is the molecular weight of 2-Bromo-1,3,4-trimethylbenzene?
The molecular weight of 2-Bromo-1,3,4-trimethylbenzene is 198.00 g/mol.
Where can I buy 2-Bromo-1,3,4-trimethylbenzene?
You can request a quote for 2-Bromo-1,3,4-trimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1,3,4-trimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1,3,4-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.