Sorafenib tosylate

Compound Structure

CAS Number: 475207-59-1

Molecular Mass: 637.0 g/mol

Formula: C28H24ClF3N4O6S

Smiles: CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 283.15 - 0.9252 [330]
1-Butanol 293.15 - 1.131 [330]
1-Butanol 303.15 - 1.64 [330]
1-Butanol 313.15 - 2.159 [330]
1-Butanol 323.15 - 2.836 [330]
1-Butanol 333.15 - 3.624 [330]
1-Pentanol 283.15 - 0.3433 [330]
1-Pentanol 293.15 - 0.5157 [330]
1-Pentanol 303.15 - 0.8646 [330]
1-Pentanol 313.15 - 1.208 [330]
1-Pentanol 323.15 - 1.557 [330]
1-Pentanol 333.15 - 2.238 [330]
1-Propanol 283.15 - 1.198 [330]
1-Propanol 293.15 - 1.492 [330]
1-Propanol 303.15 - 2.18 [330]
1-Propanol 313.15 - 2.876 [330]
1-Propanol 323.15 - 3.765 [330]
1-Propanol 333.15 - 5.081 [330]
Isobutanol 283.15 - 0.4301 [330]
Isobutanol 293.15 - 0.6666 [330]
Isobutanol 303.15 - 1.016 [330]
Isobutanol 313.15 - 1.456 [330]
Isobutanol 323.15 - 1.9 [330]
Isobutanol 333.15 - 2.799 [330]
Isopropanol 283.15 - 0.6576 [330]
Isopropanol 293.15 - 0.9052 [330]
Isopropanol 303.15 - 1.321 [330]
Isopropanol 313.15 - 1.867 [330]
Isopropanol 323.15 - 2.5 [330]
Isopropanol 333.15 - 3.516 [330]

Molecule 3D descriptors

Descriptor Value
PMI1 1191.2853
PMI2 21113.7272
PMI3 21299.9864
NPR1 0.0559
NPR2 0.9913
RadiusOfGyration 5.8502
InertialShapeFactor 0.0008
Eccentricity 0.9984
Asphericity 0.8429
SpherocityIndex 0.0907
PBF 0.7719