Gefitinib

Compound Structure

CAS Number: 184475-35-2

Molecular Mass: 446.9 g/mol

Formula: C22H24ClFN4O3

Smiles: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 298.2 - 6.421 [241]
1-Butanol 303.2 - 7.991 [241]
1-Butanol 308.2 - 10.76 [241]
1-Butanol 313.2 - 14.12 [241]
1-Butanol 318.2 - 18.2 [241]
2-Butanol 298.2 - 7.993 [241]
2-Butanol 303.2 - 10.36 [241]
2-Butanol 308.2 - 13.48 [241]
2-Butanol 313.2 - 17.33 [241]
2-Butanol 318.2 - 21.96 [241]
Diethylene Glycol Monoethyl Ether 298.2 - 65.81 [241]
Diethylene Glycol Monoethyl Ether 303.2 - 75.03 [241]
Diethylene Glycol Monoethyl Ether 308.2 - 85.58 [241]
Diethylene Glycol Monoethyl Ether 313.2 - 96.8 [241]
Diethylene Glycol Monoethyl Ether 318.2 - 109.0 [241]
Dimethyl sulfoxide 298.2 - 164.0 [241]
Dimethyl sulfoxide 303.2 - 176.4 [241]
Dimethyl sulfoxide 308.2 - 190.7 [241]
Dimethyl sulfoxide 313.2 - 204.9 [241]
Dimethyl sulfoxide 318.2 - 223.0 [241]
Ethanol 298.2 - 4.71 [241]
Ethanol 303.2 - 6.238 [241]
Ethanol 308.2 - 8.52 [241]
Ethanol 313.2 - 11.55 [241]
Ethanol 318.2 - 15.45 [241]
Ethylene Glycol 298.2 - 2.989 [241]
Ethylene Glycol 303.2 - 4.423 [241]
Ethylene Glycol 308.2 - 6.388 [241]
Ethylene Glycol 313.2 - 9.111 [241]
Ethylene Glycol 318.2 - 11.38 [241]
Isopropanol 298.2 - 5.7 [241]
Isopropanol 303.2 - 7.577 [241]
Isopropanol 308.2 - 10.01 [241]
Isopropanol 313.2 - 13.05 [241]
Isopropanol 318.2 - 16.75 [241]
Methanol 298.2 - 3.379 [241]
Methanol 303.2 - 4.678 [241]
Methanol 308.2 - 6.049 [241]
Methanol 313.2 - 7.715 [241]
Methanol 318.2 - 9.887 [241]
Propylene Glycol 298.2 - 3.302 [241]
Propylene Glycol 303.2 - 4.524 [241]
Propylene Glycol 308.2 - 5.944 [241]
Propylene Glycol 313.2 - 7.631 [241]
Propylene Glycol 318.2 - 9.822 [241]

Molecule 3D descriptors

Descriptor Value
PMI1 2075.4385
PMI2 11778.2399
PMI3 13015.0885
NPR1 0.1595
NPR2 0.9050
RadiusOfGyration 5.4828
InertialShapeFactor 0.0004
Eccentricity 0.9872
Asphericity 0.5966
SpherocityIndex 0.1234
PBF 0.8875