TL;DR: Ether, alpha-(bromomethyl)-p-cyclopentylbenzyl octyl (CAS 21270-11-1) is a chemical compound with molecular formula C21H33BrO and molecular weight 380.17148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-bromo-1-octoxyethyl)-4-cyclopentylbenzene
Also Known As: alpha-(Bromomethyl)-p-cyclopentylbenzyl octyl ether, 1-[2-bromo-1-(octyloxy)ethyl]-4-cyclopentylbenzene, ETHER, alpha-(BROMOMETHYL)-p-CYCLOPENTYLBENZYL OCTYL, 1-(2-bromo-1-octoxyethyl)-4-cyclopentylbenzene, [alpha-(Bromomethyl)-p-cyclopentylbenzyl]octyl ether
| Molecular Formula | C21H33BrO |
| Molecular Weight | 380.17148 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 380.17148 Da |
| Heavy Atoms | 23 |
| Complexity | 280.0 |
| SMILES | CCCCCCCCOC(CBr)C1=CC=C(C=C1)C2CCCC2 |
| InChIKey | XMQUNVBBVDFHCX-UHFFFAOYSA-N |
The XLogP value of 7.8 indicates that Ether, alpha-(bromomethyl)-p-cyclopentylbenzyl 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-cyclopentylbenzyl octyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ether, alpha-(bromomethyl)-p-cyclopentylbenzyl octyl has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ether, alpha-(bromomethyl)-p-cyclopentylbenzyl octyl is 21270-11-1.
The molecular formula of Ether, alpha-(bromomethyl)-p-cyclopentylbenzyl octyl is C21H33BrO.
The molecular weight of Ether, alpha-(bromomethyl)-p-cyclopentylbenzyl octyl is 380.17148 g/mol.
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