Dexibuprofen

Compound Structure

CAS Number: 51146-56-6

Molecular Mass: 206.28 g/mol

Formula: C13H18O2

Smiles: CC(C)Cc1ccc([C@H](C)C(=O)O)cc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Propanol 263.15 - 373.4 [397]
1-Propanol 268.15 - 418.2 [397]
1-Propanol 273.15 - 450.7 [397]
1-Propanol 278.15 - 475.8 [397]
1-Propanol 283.15 - 523.3 [397]
1-Propanol 288.15 - 544.5 [397]
1-Propanol 293.15 - 574.5 [397]
Ethanol 263.15 - 518.0 [397]
Ethanol 268.15 - 536.6 [397]
Ethanol 273.15 - 583.9 [397]
Ethanol 278.15 - 587.0 [397]
Ethanol 283.15 - 650.6 [397]
Ethanol 288.15 - 687.7 [397]
Ethanol 293.15 - 719.5 [397]
Ethyl acetate 263.15 - 389.5 [397]
Ethyl acetate 268.15 - 442.5 [397]
Ethyl acetate 273.15 - 502.5 [397]
Ethyl acetate 278.15 - 542.3 [397]
Ethyl acetate 283.15 - 603.5 [397]
Ethyl acetate 288.15 - 669.8 [397]
Ethyl acetate 293.15 - 684.9 [397]
Hexane 263.15 - 51.39 [397]
Hexane 268.15 - 69.13 [397]
Hexane 273.15 - 93.88 [397]
Hexane 278.15 - 140.7 [397]
Hexane 283.15 - 209.7 [397]
Hexane 288.15 - 292.8 [397]
Hexane 293.15 - 420.6 [397]
Isopropanol 263.15 - 408.6 [397]
Isopropanol 268.15 - 466.6 [397]
Isopropanol 273.15 - 517.6 [397]
Isopropanol 278.15 - 559.1 [397]
Isopropanol 283.15 - 638.3 [397]
Isopropanol 288.15 - 683.0 [397]
Isopropanol 293.15 - 711.6 [397]

Molecule 3D descriptors

Descriptor Value
PMI1 322.8477
PMI2 2132.8262
PMI3 2139.7193
NPR1 0.1509
NPR2 0.9968
RadiusOfGyration 3.3374
InertialShapeFactor 0.0031
Eccentricity 0.9886
Asphericity 0.6229
SpherocityIndex 0.2657
PBF 0.9280