Abiraterone acetate

Compound Structure

CAS Number: 154229-18-2

Molecular Mass: 391.5 g/mol

Formula: C26H33NO2

Smiles: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Propanol 296.0 - 129.7 [373]
1-Propanol 310.0 - 147.6 [373]
Acetone 296.0 - 68.89 [373]
Acetone 310.0 - 95.62 [373]
Acetonitrile 296.0 - 15.62 [373]
Acetonitrile 310.0 - 19.68 [373]
Ethanol 296.0 - 74.83 [373]
Ethanol 310.0 - 84.64 [373]
Isopropanol 296.0 - 68.81 [373]
Isopropanol 310.0 - 73.82 [373]
Methanol 296.0 - 52.67 [373]
Methanol 310.0 - 61.79 [373]

Molecule 3D descriptors

Descriptor Value
PMI1 984.5747
PMI2 8084.8885
PMI3 8446.6315
NPR1 0.1166
NPR2 0.9572
RadiusOfGyration 4.7294
InertialShapeFactor 0.0010
Eccentricity 0.9932
Asphericity 0.6925
SpherocityIndex 0.1938
PBF 0.9244