1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene
TL;DR: 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene (CAS 18880-00-7) 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.
1-(bromomethyl)-4-tert-butylbenzene
Also Known As: 4-tert-Butylbenzyl bromide, p-tert-Butylbenzyl bromide, 1-(Bromomethyl)-4-(tert-butyl)benzene, 4-tert-Butylbenzylbromide, 1-(Bromomethyl)-4-tert-butylbenzene
| Molecular Formula | C11H15Br |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.0357 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 18880-00-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CBr |
| InChIKey | QZNQSIHCDAGZIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene (CAS 18880-00-7), with molecular formula C11H15Br and molecular weight 226.04 g/mol. IUPAC: 1-(bromomethyl)-4-tert-butylbenzene.
Chemical Property Profile of 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene
Property Insights of 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene
The XLogP value of 4.2 indicates that 1-(Bromomethyl)-4-(1,1-dimethylethyl)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, 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Bromomethyl)-4-(1,1-dimethylethyl)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 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene?
The CAS number of 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene is 18880-00-7.
What is the molecular formula of 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene?
The molecular formula of 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene is C11H15Br.
What is the molecular weight of 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene?
The molecular weight of 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene is 226.04 g/mol.
Where can I buy 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene?
You can request a quote for 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Bromomethyl)-4-(1,1-dimethylethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.