(S)-Naproxen

Compound Structure

CAS Number: 22204-53-1

Molecular Mass: 230.26 g/mol

Formula: C14H14O3

Smiles: COc1ccc2cc([C@H](C)C(=O)O)ccc2c1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 304.65 - 350.1 [24]
1,4-Dioxane 311.05 - 396.0 [24]
1,4-Dioxane 312.15 - 409.4 [24]
1,4-Dioxane 316.85 - 446.3 [24]
1,4-Dioxane 319.95 - 481.0 [24]
1,4-Dioxane 322.85 - 501.5 [24]
1-Propanol 298.15 - 41.3 [228]
Acetone 278.25 - 3.032 [229]
Acetone 283.6 - 4.372 [229]
Acetone 288.3 - 5.2 [229]
Acetone 293.05 - 6.791 [229]
Acetone 298.15 - 153.0 [228]
Acetone 298.45 - 8.766 [229]
Acetone 303.2 - 11.21 [229]
Acetone 308.7 - 14.12 [229]
Acetone 313.45 - 18.11 [229]
Acetone 318.1 - 21.92 [229]
Acetone 320.15 - 25.51 [229]
Acetonitrile 298.15 - 26.21 [228]
Carbon tetrachloride 298.15 - 4.087 [228]
Chlorobenzene 298.15 - 14.42 [228]
Chloroform 298.15 - 74.64 [228]
Cyclohexane 298.15 - 0.159 [228]
Ethanol 278.15 - 19.64 [229]
Ethanol 283.7 - 24.34 [229]
Ethanol 288.15 - 30.24 [229]
Ethanol 293.1 - 36.76 [229]
Ethanol 293.2 - 49.54 [226]
Ethanol 293.2 - 42.68 [227]
Ethanol 298.15 - 55.34 [228]
Ethanol 298.2 - 59.35 [226]
Ethanol 298.2 - 46.46 [227]
Ethanol 298.5 - 46.76 [229]
Ethanol 303.2 - 78.83 [226]
Ethanol 303.2 - 51.0 [227]
Ethanol 303.25 - 56.61 [229]
Ethanol 308.2 - 92.16 [226]
Ethanol 308.2 - 54.7 [227]
Ethanol 308.65 - 67.84 [229]
Ethanol 313.2 - 112.8 [226]
Ethanol 313.2 - 59.95 [227]
Ethanol 313.4 - 83.52 [229]
Ethanol 318.8 - 96.74 [229]
Ethanol 320.15 - 110.0 [229]
Ethyl acetate 278.2 - 35.26 [229]
Ethyl acetate 283.45 - 41.64 [229]
Ethyl acetate 288.15 - 47.46 [229]
Ethyl acetate 293.1 - 55.26 [229]
Ethyl acetate 298.15 - 58.46 [228]
Ethyl acetate 298.5 - 65.07 [229]
Ethyl acetate 303.25 - 73.38 [229]
Ethyl acetate 308.65 - 86.09 [229]
Ethyl acetate 313.7 - 99.0 [229]
Ethyl acetate 318.7 - 113.4 [229]
Ethyl acetate 320.1 - 118.9 [229]
Ethylene Glycol 293.2 - 12.59 [227]
Ethylene Glycol 298.15 - 11.73 [228]
Ethylene Glycol 298.2 - 15.3 [227]
Ethylene Glycol 303.2 - 18.05 [227]
Ethylene Glycol 308.2 - 20.43 [227]
Ethylene Glycol 313.2 - 23.04 [227]
Heptane 298.15 - 0.0606 [228]
Hexane 298.15 - 0.056 [228]
Isopropanol 278.15 - 16.09 [229]
Isopropanol 283.6 - 20.35 [229]
Isopropanol 288.35 - 24.5 [229]
Isopropanol 293.75 - 29.62 [229]
Isopropanol 298.15 - 38.19 [228]
Isopropanol 298.5 - 35.76 [229]
Isopropanol 303.25 - 43.09 [229]
Isopropanol 308.65 - 53.27 [229]
Isopropanol 313.4 - 63.67 [229]
Isopropanol 318.8 - 77.81 [229]
Isopropanol 320.15 - 81.76 [229]
Methanol 278.2 - 35.65 [229]
Methanol 283.6 - 42.24 [229]
Methanol 288.15 - 50.45 [229]
Methanol 293.1 - 60.27 [229]
Methanol 298.15 - 69.79 [228]
Methanol 298.15 - 71.93 [229]
Methanol 303.9 - 87.77 [229]
Methanol 308.65 - 104.3 [229]
Methanol 313.4 - 122.4 [229]
Methanol 318.8 - 144.1 [229]
Methanol 320.15 - 154.6 [229]
Pentane 298.15 - 0.04401 [228]
Propylene Glycol 293.2 - 19.38 [226]
Propylene Glycol 298.2 - 22.86 [226]
Propylene Glycol 303.2 - 27.05 [226]
Propylene Glycol 308.2 - 33.25 [226]
Propylene Glycol 313.2 - 39.14 [226]
Toluene 298.15 - 7.503 [228]
Toluene 307.85 - 13.0 [24]
Toluene 315.85 - 17.0 [24]
Toluene 319.85 - 21.0 [24]
Toluene 323.15 - 25.5 [24]
Toluene 332.65 - 40.2 [24]
Water 293.2 - 0.0556 [226]
Water 298.2 - 0.06531 [226]
Water 303.2 - 0.07507 [226]
Water 308.2 - 0.0837 [226]
Water 313.2 - 0.09713 [226]

Molecule 3D descriptors

Descriptor Value
PMI1 358.6231
PMI2 2561.8056
PMI3 2693.3145
NPR1 0.1332
NPR2 0.9512
RadiusOfGyration 3.4914
InertialShapeFactor 0.0027
Eccentricity 0.9911
Asphericity 0.6551
SpherocityIndex 0.1566
PBF 0.5102