Sunitinib malate

Compound Structure

CAS Number: 341031-54-7

Molecular Mass: 532.6 g/mol

Formula: C26H33FN4O7

Smiles: CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.O=C(O)C[C@H](O)C(=O)O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Diethylene Glycol Monoethyl Ether 298.2 - 39.3 [265]
Diethylene Glycol Monoethyl Ether 303.2 - 45.99 [265]
Diethylene Glycol Monoethyl Ether 308.2 - 53.31 [265]
Diethylene Glycol Monoethyl Ether 313.2 - 63.78 [265]
Diethylene Glycol Monoethyl Ether 318.2 - 73.0 [265]
Ethanol 298.2 - 25.21 [265]
Ethanol 303.2 - 29.07 [265]
Ethanol 308.2 - 33.51 [265]
Ethanol 313.2 - 38.5 [265]
Ethanol 318.2 - 46.03 [265]
Ethylene Glycol 298.2 - 9.913 [265]
Ethylene Glycol 303.2 - 13.21 [265]
Ethylene Glycol 308.2 - 17.63 [265]
Ethylene Glycol 313.2 - 23.07 [265]
Ethylene Glycol 318.2 - 29.52 [265]
Isopropanol 298.2 - 44.17 [265]
Isopropanol 303.2 - 52.7 [265]
Isopropanol 308.2 - 68.87 [265]
Isopropanol 313.2 - 88.96 [265]
Isopropanol 318.2 - 115.0 [265]
Propylene Glycol 298.2 - 12.96 [265]
Propylene Glycol 303.2 - 16.46 [265]
Propylene Glycol 308.2 - 21.81 [265]
Propylene Glycol 313.2 - 27.64 [265]
Propylene Glycol 318.2 - 34.59 [265]
Water 298.2 - 0.1095 [265]
Water 303.2 - 0.1393 [265]
Water 308.2 - 0.1785 [265]
Water 313.2 - 0.2475 [265]
Water 318.2 - 0.3065 [265]

Molecule 3D descriptors

Descriptor Value
PMI1 1550.0414
PMI2 10815.1577
PMI3 11348.6466
NPR1 0.1366
NPR2 0.9530
RadiusOfGyration 4.7184
InertialShapeFactor 0.0006
Eccentricity 0.9906
Asphericity 0.6478
SpherocityIndex 0.1787
PBF 0.9643