Letrozole

Compound Structure

CAS Number: 112809-51-5

Molecular Mass: 285.3 g/mol

Formula: C17H11N5

Smiles: N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Propanol 283.15 - 1.355 [163]
1-Propanol 288.15 - 1.769 [163]
1-Propanol 293.15 - 2.29 [163]
1-Propanol 298.15 - 2.938 [163]
1-Propanol 303.15 - 3.739 [163]
1-Propanol 308.15 - 4.718 [163]
1-Propanol 313.15 - 5.912 [163]
1-Propanol 318.15 - 7.348 [163]
1-Propanol 323.15 - 9.077 [163]
Acetone 283.15 - 58.86 [163]
Acetone 288.15 - 66.64 [163]
Acetone 293.15 - 75.09 [163]
Acetone 298.15 - 84.43 [163]
Acetone 303.15 - 94.46 [163]
Acetone 308.15 - 105.3 [163]
Acetone 313.15 - 117.0 [163]
Acetone 318.15 - 129.6 [163]
Acetone 323.15 - 143.2 [163]
Acetonitrile 283.15 - 35.38 [163]
Acetonitrile 288.15 - 42.48 [163]
Acetonitrile 293.15 - 50.67 [163]
Acetonitrile 298.15 - 60.1 [163]
Acetonitrile 303.15 - 70.88 [163]
Acetonitrile 308.15 - 83.08 [163]
Acetonitrile 313.15 - 96.98 [163]
Acetonitrile 318.15 - 112.7 [163]
Acetonitrile 323.15 - 130.4 [163]
Ethanol 283.15 - 2.253 [163]
Ethanol 288.15 - 2.883 [163]
Ethanol 293.15 - 3.66 [163]
Ethanol 298.15 - 4.607 [163]
Ethanol 303.15 - 5.752 [163]
Ethanol 308.15 - 7.127 [163]
Ethanol 313.15 - 8.772 [163]
Ethanol 318.15 - 10.72 [163]
Ethanol 323.15 - 13.02 [163]
Ethyl acetate 283.15 - 15.65 [163]
Ethyl acetate 288.15 - 17.98 [163]
Ethyl acetate 293.15 - 20.56 [163]
Ethyl acetate 298.15 - 23.42 [163]
Ethyl acetate 303.15 - 26.54 [163]
Ethyl acetate 308.15 - 29.96 [163]
Ethyl acetate 313.15 - 33.66 [163]
Ethyl acetate 318.15 - 37.72 [163]
Ethyl acetate 323.15 - 42.08 [163]
Methanol 283.15 - 7.705 [163]
Methanol 288.15 - 9.435 [163]
Methanol 293.15 - 11.48 [163]
Methanol 298.15 - 13.88 [163]
Methanol 303.15 - 16.66 [163]
Methanol 308.15 - 19.88 [163]
Methanol 313.15 - 23.59 [163]
Methanol 318.15 - 27.83 [163]
Methanol 323.15 - 32.66 [163]
Methyl acetate 283.15 - 38.66 [163]
Methyl acetate 288.15 - 43.64 [163]
Methyl acetate 293.15 - 49.05 [163]
Methyl acetate 298.15 - 54.91 [163]
Methyl acetate 303.15 - 61.24 [163]
Methyl acetate 308.15 - 68.06 [163]
Methyl acetate 313.15 - 75.35 [163]
Methyl acetate 318.15 - 83.06 [163]
Methyl acetate 323.15 - 91.5 [163]
Tetrahydrofuran 283.15 - 59.33 [163]
Tetrahydrofuran 288.15 - 66.29 [163]
Tetrahydrofuran 293.15 - 73.75 [163]
Tetrahydrofuran 298.15 - 81.79 [163]
Tetrahydrofuran 303.15 - 90.38 [163]
Tetrahydrofuran 308.15 - 99.56 [163]
Tetrahydrofuran 313.15 - 109.4 [163]
Tetrahydrofuran 318.15 - 119.8 [163]
Tetrahydrofuran 323.15 - 130.8 [163]

Molecule 3D descriptors

Descriptor Value
PMI1 1403.5637
PMI2 2806.3042
PMI3 3842.2806
NPR1 0.3653
NPR2 0.7304
RadiusOfGyration 3.7565
InertialShapeFactor 0.0005
Eccentricity 0.9309
Asphericity 0.2773
SpherocityIndex 0.2799
PBF 0.9635