Solubility Data, Solubility Parameters and Thermodynamic Behavior of an Antiviral Drug Emtricitabine in Different Pure Solvents: Molecular Understanding of Solubility and Dissolution

The solubility values, various Hansen solubility parameters (HSPs) and thermodynamic behavior of emtricitabine (ECT) in twelve different pure solvents (PS) were estimated using various experimental as well as computational methods. Experimental solubility values (x(e)) of ECT in twelve different PS were obtained at T = 298.2 K to 318.2 K and p = 0.1 MPa. The x(e) values of ECT were correlated by van't Hoff, Apelblat and Buchowski-Ksiazaczak lambda h models. Various HSPs for ECT and twelve different PS were also calculated using HSPiP software. The x(e) values of ECT were estimated maximum in polyethylene glycol-400 (PEG-400; 1.41 x 10(-1)), followed by ethylene glycol, Transcutol-HP, propylene glycol, methanol, water, isopropanol, ethanol, 1-butanol, dimethyl sulfoxide, 2-butanol and EA (1.28 x 10(-3)) at T = 318.2 K. Apparent thermodynamic analysis showed an endothermic and entropy-driven dissolution of ECT. Overall, PEG-400 was found as the best/ideal solvent for solubility/miscibility of ECT compared to other solvents studied.

Automated summary

The study estimated the solubility values of emtricitabine (ECT) in twelve different pure solvents and calculated the various Hansen solubility parameters. Results showed that polyethylene glycol-400 (PEG-400) was the most suitable solvent for the solubility of ECT compared to other solvents studied.