Simulation of Clozapine Solubility in Mono- and Mixed Solvents at Different Temperatures

Rahimpour, Elaheh; Xu, Renjie; Zhao, Hongkun; Acree, William E.; Jouyban, Abolghasem

doi:10.1007/s10953-022-01208-5

Cited by 5 publications

(1 citation statement)

References 41 publications

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“…Determining which approach is best for a specific drug molecule is both time-consuming and expensive in terms of employee labor and chemical resources. Several computation methods are available for estimating the solubility of drug candidates [1][2][3][4][5][6][7][8][9] and to assist researchers in selecting an appropriate organic solvent and mixture composition if co-solvency is needed to enhance a low aqueous solubility [4,6,7,[9][10][11][12][13].…”

Section: Introductionmentioning

confidence: 99%

Abraham Model Descriptors for Vitamin K4: Prediction of Solution, Biological and Thermodynamic Properties

Motati,

Kandi

et al. 2023

Liquids

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Spectrophotometric measurements were used to determine the mole fraction solubilities of vitamin K4 dissolved in cyclohexane, methylcyclohexane, 1-heptanol, 2-butanol, 2-pentanol, 2-methyl-1-butanol, 4-methyl-2-pentanol, and cyclopentanol at 298.15 K. Results from our experimental measurements, combined with the published solubility data, are used to calculate the solute descriptors of the vitamin K4 solute. The calculated solute descriptors describe the observed solubility data to within an overall standard deviation of 0.110 log units. The calculated solute descriptors were also used to estimate the several blood-to-rat tissue partition coefficients of vitamin K4, as well as the equilibrium vapor pressure above the solid vitamin at 298 K, and the vitamin’s enthalpy of solvation in both water and in 1,4-dioxane organic mono-solvent.

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