2-Bromo-4-tert-butyl-1-methylbenzene
TL;DR: 2-Bromo-4-tert-butyl-1-methylbenzene (CAS 61024-94-0) is a chemical compound with molecular formula C11H15Br and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-tert-butyl-1-methylbenzene
Also Known As: 2-bromo-4-tert-butyl-1-methylbenzene, 2-Bromo-4-(tert-butyl)-1-methylbenzene, 2-BROMO-4-TERT-BUTYL-1-METHYL-BENZENE, 2-Bromo-4-tert-butyltoluene, 2-bromo-1-methyl-4-tert-butyl-benzene
| Molecular Formula | C11H15Br |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.0357 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 61024-94-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)(C)C)Br |
| InChIKey | VEIYGWKHCOGECS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4-tert-butyl-1-methylbenzene (CAS 61024-94-0), with molecular formula C11H15Br and molecular weight 226.04 g/mol. IUPAC: 2-bromo-4-tert-butyl-1-methylbenzene.
Chemical Property Profile of 2-Bromo-4-tert-butyl-1-methylbenzene
Property Insights of 2-Bromo-4-tert-butyl-1-methylbenzene
The XLogP value of 4.6 indicates that 2-Bromo-4-tert-butyl-1-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, 2-Bromo-4-tert-butyl-1-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-tert-butyl-1-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
Frequently Asked Questions
What is the CAS number of 2-Bromo-4-tert-butyl-1-methylbenzene?
The CAS number of 2-Bromo-4-tert-butyl-1-methylbenzene is 61024-94-0.
What is the molecular formula of 2-Bromo-4-tert-butyl-1-methylbenzene?
The molecular formula of 2-Bromo-4-tert-butyl-1-methylbenzene is C11H15Br.
What is the molecular weight of 2-Bromo-4-tert-butyl-1-methylbenzene?
The molecular weight of 2-Bromo-4-tert-butyl-1-methylbenzene is 226.04 g/mol.
Where can I buy 2-Bromo-4-tert-butyl-1-methylbenzene?
You can request a quote for 2-Bromo-4-tert-butyl-1-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-tert-butyl-1-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-tert-butyl-1-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.