(4-Bromo-2-methylbutan-2-yl)benzene
TL;DR: (4-Bromo-2-methylbutan-2-yl)benzene (CAS 141-08-2) 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.
(4-bromo-2-methylbutan-2-yl)benzene
Also Known As: (4-bromo-2-methylbutan-2-yl)benzene, 3-methyl-3-phenylbutyl bromide, 1-bromo-3-methyl-3-phenylbutane, 1-Brom-3-methyl-3-phenyl-butan, Benzene, (3-bromo-1,1-dimethylpropyl)-
| Molecular Formula | C11H15Br |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.0357 |
| Heavy Atoms | 12 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 141-08-2 |
|---|---|
| SMILES | CC(C)(CCBr)C1=CC=CC=C1 |
| InChIKey | HYBMCTHMOSBLGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Bromo-2-methylbutan-2-yl)benzene (CAS 141-08-2), with molecular formula C11H15Br and molecular weight 226.04 g/mol. IUPAC: (4-bromo-2-methylbutan-2-yl)benzene.
Chemical Property Profile of (4-Bromo-2-methylbutan-2-yl)benzene
Property Insights of (4-Bromo-2-methylbutan-2-yl)benzene
The XLogP value of 4.7 indicates that (4-Bromo-2-methylbutan-2-yl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (4-Bromo-2-methylbutan-2-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Bromo-2-methylbutan-2-yl)benzene 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 (4-Bromo-2-methylbutan-2-yl)benzene?
The CAS number of (4-Bromo-2-methylbutan-2-yl)benzene is 141-08-2.
What is the molecular formula of (4-Bromo-2-methylbutan-2-yl)benzene?
The molecular formula of (4-Bromo-2-methylbutan-2-yl)benzene is C11H15Br.
What is the molecular weight of (4-Bromo-2-methylbutan-2-yl)benzene?
The molecular weight of (4-Bromo-2-methylbutan-2-yl)benzene is 226.04 g/mol.
Where can I buy (4-Bromo-2-methylbutan-2-yl)benzene?
You can request a quote for (4-Bromo-2-methylbutan-2-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromo-2-methylbutan-2-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromo-2-methylbutan-2-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.