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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
Identifikatoren & physikalische Daten
| CAS No. | 85828-82-6 |
|---|---|
| Summenformel | C17H16I2O4 |
| Durchschnittliche Molmasse | 538,11 g/mol |
| Monoisotopische Masse | 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 |
Chemische & physikalische Eigenschaften
| XLogP | 4,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 360 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Löslichkeit | Dichloromethane |
| Aggregatzustand | Solid |
| Farbe | White |
Anwendungen & Verwendung
Verwenden
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).