HuagongsheHuagongshe Chemistry Print Report · For research reference only
Zindoxifene
D-16726 · Zindoxifene · 4-(5-acetoxy-1-ethyl-3-methyl-1H-indol-2-yl)phenyl acetate · 2-[4-(Acetyloxy)phenyl]-1-ethyl-3-methyl-1H-indol-5-ol acetate · 1H-Indol-5-ol, 2-[4-(acetyloxy)phenyl]-1-ethyl-3-methyl-, 5-acetate

Identifiers & Physical Properties
| CAS No. | 86111-26-4 |
|---|---|
| Molecular formula | C21H21NO4 |
| Average molar mass | 351.4 g/mol |
| Monoisotopic mass | 351.14705815 g/mol |
| SMILES | CCn1c(-c2ccc(OC(C)=O)cc2)c(C)c2cc(OC(C)=O)ccc21 |
| InChIKey | KSZGVNZSUJHOJA-UHFFFAOYSA-N |
| PubChem CID | 65645 |
| ChEMBL | CHEMBL32227 |
| ChEBI | CHEBI:35052 |
| DTXSID | DTXSID60235396 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 57.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 6 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 514 |
| Melting point | 146-147 °C(Solv: ethanol (64-17-5)) |
| Boiling point | 508.3±50.0 °C(Predicted) |
| Density | 1.17±0.1 g/cm3(Predicted) |
| FDA UNII | 1IRS95M8DN |