HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 3,5-diiodo-4-(4-methoxyphenoxy)phenylacetate
Einecs 288-610-5 · Levothyroxine Sodium Impurity 8 · ethyl 3,5-diiodo-4-(4-methoxyphenoxy)phenylacetate · 3,5-Diiodo-4'-O-Methyl Thyroacetic Acid Ethyl Ester · 3,5-Diiodo-4a€-O-methyl Thyroacetic Acid Ethyl Ester · 3,5-Diiodo-4-(4-methoxyphenoxy)benzeneacetic acid ethyl ester · Benzeneacetic acid, 3,5-diiodo-4-(4-methoxyphenoxy)-, ethyl ester · 3,5-Diiodo-4′-O-methyl thyroacetic acid ethyl ester, CAS 85828-82-6
Identifiers & Physical Properties
| CAS No. | 85828-82-6 |
|---|---|
| Molecular formula | C17H16I2O4 |
| Average molar mass | 538.11 g/mol |
| Monoisotopic mass | 537.91380499 g/mol |
| SMILES | CCOC(=O)Cc1cc(I)c(Oc2ccc(OC)cc2)c(I)c1 |
| InChIKey | BCLWYRUGYYCELP-UHFFFAOYSA-N |
| PubChem CID | 3020978 |
| EC No. | 288-610-5 |
| DTXSID | DTXSID10235109 |
Chemical & Physical Properties
| XLogP | 4.9 |
|---|---|
| Topological polar surface area | 44.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 360 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Solubility | Dichloromethane |
| Physical state | Solid |
| Color | White |
Applications & Uses
Uses
3,5-Diiodo-4’-O-methyl Thyroacetic Acid Ethyl Ester is a derivative of 3,5-Diiodo Thyroacetic Acid (D455140), the acetic acid analog of Thyroxine (T425601). It is a reactant in the preparation of bifunctional thyrointegrin inhibitors, thyroxine (T425601) and triiodothyronine (T795380).