TL;DR: Acetic acid, (2,4,6-tribromophenoxy)-, ethyl ester (CAS 26203-81-6) is a chemical compound with molecular formula C10H9Br3O3 and molecular weight 413.81018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(2,4,6-tribromophenoxy)acetate
Also Known As: Ethyl 2,4,6-tribromophenoxyacetate, ethyl 2-(2,4,6-tribromophenoxy)acetate, ethyl (2,4,6-tribromophenoxy)acetate, ACETIC ACID, (2,4,6-TRIBROMOPHENOXY)-, ETHYL ESTER, 0-06-00-00205 (Beilstein Handbook Reference)
| Molecular Formula | C10H9Br3O3 |
| Molecular Weight | 413.81018 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.80814 Da |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
| SMILES | CCOC(=O)COC1=C(C=C(C=C1Br)Br)Br |
| InChIKey | RXORLAYFBHDJAA-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that Acetic acid, (2,4,6-tribromophenoxy)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid, (2,4,6-tribromophenoxy)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (2,4,6-tribromophenoxy)-, ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, (2,4,6-tribromophenoxy)-, ethyl ester is 26203-81-6.
The molecular formula of Acetic acid, (2,4,6-tribromophenoxy)-, ethyl ester is C10H9Br3O3.
The molecular weight of Acetic acid, (2,4,6-tribromophenoxy)-, ethyl ester is 413.81018 g/mol.
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