(3-Bromo-2,2-dimethylpropyl)benzene
TL;DR: (3-Bromo-2,2-dimethylpropyl)benzene (CAS 56701-49-6) 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.
(3-bromo-2,2-dimethylpropyl)benzene
Also Known As: (3-Bromo-2,2-dimethylpropyl)benzene, benzene, (3-bromo-2,2-dimethyl-propyl)benzene, Benzene, (3-bromo-2,2-dimethylpropyl)-, F8884-2428
| Molecular Formula | C11H15Br |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 4.1 |
| 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 | 56701-49-6 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1)CBr |
| InChIKey | YBVCSLHHNFCZKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Bromo-2,2-dimethylpropyl)benzene (CAS 56701-49-6), with molecular formula C11H15Br and molecular weight 226.04 g/mol. IUPAC: (3-bromo-2,2-dimethylpropyl)benzene.
Chemical Property Profile of (3-Bromo-2,2-dimethylpropyl)benzene
Property Insights of (3-Bromo-2,2-dimethylpropyl)benzene
The XLogP value of 4.1 indicates that (3-Bromo-2,2-dimethylpropyl)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, (3-Bromo-2,2-dimethylpropyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Bromo-2,2-dimethylpropyl)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 (3-Bromo-2,2-dimethylpropyl)benzene?
The CAS number of (3-Bromo-2,2-dimethylpropyl)benzene is 56701-49-6.
What is the molecular formula of (3-Bromo-2,2-dimethylpropyl)benzene?
The molecular formula of (3-Bromo-2,2-dimethylpropyl)benzene is C11H15Br.
What is the molecular weight of (3-Bromo-2,2-dimethylpropyl)benzene?
The molecular weight of (3-Bromo-2,2-dimethylpropyl)benzene is 226.04 g/mol.
Where can I buy (3-Bromo-2,2-dimethylpropyl)benzene?
You can request a quote for (3-Bromo-2,2-dimethylpropyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Bromo-2,2-dimethylpropyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3-Bromo-2,2-dimethylpropyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.