Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl
TL;DR: Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl (CAS 21270-06-4) is a chemical compound with molecular formula C20H33BrO and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromo-1-octoxyethyl)-4-tert-butylbenzene
Also Known As: alpha-(Bromomethyl)-p-tert-butylbenzyl octyl ether, 1-(2-bromo-1-octoxyethyl)-4-tert-butylbenzene, 1-[2-Bromo-1-(octyloxy)ethyl]-4-tert-butylbenzene, ETHER, alpha-(BROMOMETHYL)-p-tert-BUTYLBENZYL OCTYL, [alpha-(Bromomethyl)-p-tert-butylbenzyl]octyl ether
| Molecular Formula | C20H33BrO |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 368.17148 |
| Heavy Atoms | 22 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 21270-06-4 |
|---|---|
| SMILES | CCCCCCCCOC(CBr)C1=CC=C(C=C1)C(C)(C)C |
| InChIKey | BRTMPQQLYHLSIL-UHFFFAOYSA-N |
Product Overview
Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl (CAS 21270-06-4), with molecular formula C20H33BrO and molecular weight 368.17 g/mol. IUPAC: 1-(2-bromo-1-octoxyethyl)-4-tert-butylbenzene.
Chemical Property Profile of Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl
Property Insights of Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl
The XLogP value of 7.5 indicates that Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl?
The CAS number of Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl is 21270-06-4.
What is the molecular formula of Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl?
The molecular formula of Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl is C20H33BrO.
What is the molecular weight of Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl?
The molecular weight of Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl is 368.17 g/mol.
Where can I buy Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl?
You can request a quote for Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl?
Yes, KEHONG BIO provides custom synthesis services for Ether, alpha-(bromomethyl)-p-tert-butylbenzyl octyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.