TL;DR: 2-(2-(2-(2-Bromo-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethoxy)acetic acid (CAS 100345-09-3) is a chemical compound with molecular formula C20H31BrO5 and molecular weight 430.1355 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-[2-bromo-4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]acetic acid
Also Known As: 2-(2-(2-(2-Bromo-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethoxy)acetic acid, 2-[2-[2-[2-bromo-4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]acetic Acid, (2-{2-[2-BROMO-4-(2-METHYLHEPTAN-2-YL)PHENOXY]ETHOXY}ETHOXY)ACETIC ACID
| Molecular Formula | C20H31BrO5 |
| Molecular Weight | 430.1355 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 430.1355 Da |
| Heavy Atoms | 26 |
| Complexity | 388.0 |
| SMILES | CCCCCC(C)(C)C1=CC(=C(C=C1)OCCOCCOCC(=O)O)Br |
| InChIKey | JKACKTATDWHLPZ-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 2-(2-(2-(2-Bromo-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(2-(2-Bromo-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethoxy)acetic acid. Following Lipinski's Rule of Five, 2-(2-(2-(2-Bromo-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethoxy)acetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(2-(2-(2-Bromo-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethoxy)acetic acid is 100345-09-3.
The molecular formula of 2-(2-(2-(2-Bromo-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethoxy)acetic acid is C20H31BrO5.
The molecular weight of 2-(2-(2-(2-Bromo-4-(2-methylheptan-2-yl)phenoxy)ethoxy)ethoxy)acetic acid is 430.1355 g/mol.
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