Cabozantinib malate

Compound Structure

CAS Number: 1140909-48-3

Molecular Mass: 635.6 g/mol

Formula: C32H30FN3O10

Smiles: COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC.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
1-Butanol 298.2 - 4.667 [271]
1-Butanol 303.2 - 6.415 [271]
1-Butanol 308.2 - 8.772 [271]
1-Butanol 313.2 - 11.33 [271]
1-Butanol 318.2 - 14.61 [271]
2-Butanol 298.2 - 4.729 [271]
2-Butanol 303.2 - 6.457 [271]
2-Butanol 308.2 - 9.197 [271]
2-Butanol 313.2 - 11.73 [271]
2-Butanol 318.2 - 14.9 [271]
Diethylene Glycol Monoethyl Ether 298.2 - 8.351 [271]
Diethylene Glycol Monoethyl Ether 303.2 - 10.73 [271]
Diethylene Glycol Monoethyl Ether 308.2 - 14.58 [271]
Diethylene Glycol Monoethyl Ether 313.2 - 19.4 [271]
Diethylene Glycol Monoethyl Ether 318.2 - 25.05 [271]
Dimethyl sulfoxide 298.2 - 306.0 [271]
Dimethyl sulfoxide 303.2 - 324.6 [271]
Dimethyl sulfoxide 308.2 - 345.0 [271]
Dimethyl sulfoxide 313.2 - 370.0 [271]
Dimethyl sulfoxide 318.2 - 397.9 [271]
Ethanol 298.2 - 4.237 [271]
Ethanol 303.2 - 5.464 [271]
Ethanol 308.2 - 7.761 [271]
Ethanol 313.2 - 10.42 [271]
Ethanol 318.2 - 13.47 [271]
Ethyl acetate 298.2 - 0.5678 [271]
Ethyl acetate 303.2 - 0.865 [271]
Ethyl acetate 308.2 - 1.19 [271]
Ethyl acetate 313.2 - 1.751 [271]
Ethyl acetate 318.2 - 2.605 [271]
Ethylene Glycol 298.2 - 4.843 [271]
Ethylene Glycol 303.2 - 6.857 [271]
Ethylene Glycol 308.2 - 9.481 [271]
Ethylene Glycol 313.2 - 12.28 [271]
Ethylene Glycol 318.2 - 15.5 [271]
Isopropanol 298.2 - 4.373 [271]
Isopropanol 303.2 - 5.591 [271]
Isopropanol 308.2 - 7.719 [271]
Isopropanol 313.2 - 10.6 [271]
Isopropanol 318.2 - 13.67 [271]
Methanol 298.2 - 2.636 [271]
Methanol 303.2 - 4.063 [271]
Methanol 308.2 - 5.734 [271]
Methanol 313.2 - 7.707 [271]
Methanol 318.2 - 10.74 [271]
Propylene Glycol 298.2 - 6.173 [271]
Propylene Glycol 303.2 - 8.43 [271]
Propylene Glycol 308.2 - 11.24 [271]
Propylene Glycol 313.2 - 15.3 [271]
Propylene Glycol 318.2 - 20.29 [271]
Water 298.2 - 0.008 [271]
Water 303.2 - 0.0119 [271]
Water 308.2 - 0.01686 [271]
Water 313.2 - 0.02276 [271]
Water 318.2 - 0.0296 [271]

Molecule 3D descriptors

Descriptor Value
PMI1 3453.3050
PMI2 15589.2945
PMI3 17617.6335
NPR1 0.1960
NPR2 0.8849
RadiusOfGyration 5.3702
InertialShapeFactor 0.0003
Eccentricity 0.9806
Asphericity 0.5239
SpherocityIndex 0.1584
PBF 1.0467