Osimertinib

Compound Structure

CAS Number: 1421373-65-0

Molecular Mass: 499.6 g/mol

Formula: C28H33N7O2

Smiles: C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Dichloromethane 298.2 - 7.277 [234]
Dichloromethane 303.2 - 10.8 [234]
Dichloromethane 308.2 - 14.99 [234]
Dichloromethane 313.2 - 21.3 [234]
Dichloromethane 318.2 - 27.64 [234]
Diethylene Glycol Monoethyl Ether 298.2 - 5.279 [234]
Diethylene Glycol Monoethyl Ether 303.2 - 8.03 [234]
Diethylene Glycol Monoethyl Ether 308.2 - 12.26 [234]
Diethylene Glycol Monoethyl Ether 313.2 - 16.7 [234]
Diethylene Glycol Monoethyl Ether 318.2 - 23.07 [234]
Ethanol 298.2 - 4.021 [234]
Ethanol 303.2 - 5.956 [234]
Ethanol 308.2 - 8.335 [234]
Ethanol 313.2 - 10.98 [234]
Ethanol 318.2 - 14.68 [234]
Ethyl acetate 298.2 - 6.55 [234]
Ethyl acetate 303.2 - 8.778 [234]
Ethyl acetate 308.2 - 12.08 [234]
Ethyl acetate 313.2 - 15.4 [234]
Ethyl acetate 318.2 - 19.7 [234]
Propylene Glycol 298.2 - 5.198 [234]
Propylene Glycol 303.2 - 7.17 [234]
Propylene Glycol 308.2 - 9.642 [234]
Propylene Glycol 313.2 - 13.85 [234]
Propylene Glycol 318.2 - 17.76 [234]
Water 298.2 - 0.511 [234]
Water 303.2 - 0.6174 [234]
Water 308.2 - 0.7481 [234]
Water 313.2 - 0.8727 [234]
Water 318.2 - 1.01 [234]

Molecule 3D descriptors

Descriptor Value
PMI1 2313.4048
PMI2 13976.3024
PMI3 15720.2243
NPR1 0.1472
NPR2 0.8891
RadiusOfGyration 5.6599
InertialShapeFactor 0.0004
Eccentricity 0.9891
Asphericity 0.6223
SpherocityIndex 0.0777
PBF 0.7490