TL;DR: Ether, alpha-(bromomethyl)benzyl 2-ethylhexyl (CAS 21270-00-8) is a chemical compound with molecular formula C16H25BrO and molecular weight 312.1089 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-bromo-1-(2-ethylhexoxy)ethyl]benzene
Also Known As: alpha-(Bromomethyl)benzyl 2-ethylhexyl ether, [2-bromo-1-(2-ethylhexoxy)ethyl]benzene, {2-bromo-1-[(2-ethylhexyl)oxy]ethyl}benzene, ETHER, alpha-(BROMOMETHYL)BENZYL 2-ETHYLHEXYL, [alpha-(Bromomethyl)benzyl](2-ethylhexyl) ether
| Molecular Formula | C16H25BrO |
| Molecular Weight | 312.1089 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 312.1089 Da |
| Heavy Atoms | 18 |
| Complexity | 190.0 |
| SMILES | CCCCC(CC)COC(CBr)C1=CC=CC=C1 |
| InChIKey | MJFXWVHYGDHZQJ-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that Ether, alpha-(bromomethyl)benzyl 2-ethylhexyl 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)benzyl 2-ethylhexyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ether, alpha-(bromomethyl)benzyl 2-ethylhexyl 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)benzyl 2-ethylhexyl is 21270-00-8.
The molecular formula of Ether, alpha-(bromomethyl)benzyl 2-ethylhexyl is C16H25BrO.
The molecular weight of Ether, alpha-(bromomethyl)benzyl 2-ethylhexyl is 312.1089 g/mol.
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