5,6-dibromocholestan-3-yl 4-butoxybenzoate
Chemical Structure Depiction of
5,6-dibromocholestan-3-yl 4-butoxybenzoate
5,6-dibromocholestan-3-yl 4-butoxybenzoate
Compound characteristics
| Compound ID: | 1522-0115 |
| Compound Name: | 5,6-dibromocholestan-3-yl 4-butoxybenzoate |
| Molecular Weight: | 722.69 |
| Molecular Formula: | C38 H58 Br2 O3 |
| Smiles: | CCCCOc1ccc(cc1)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2(C1)[Br])[Br])C(C)CCCC(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 11.6742 |
| logD: | 11.6742 |
| logSw: | -5.9126 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.8678 |
| InChI Key: | JLDCYPYVMUNTNF-UHFFFAOYSA-N |