Purpose <p>Particle characteristics such as size, shape, and surface chemistry impact the solubility, dissolution rate, mechanical properties and bioavailability of drug molecules. Febuxostat (FST) belongs to the BCS class II category and crystallises into rod-shaped crystals. The purpose of the present study was to modify the crystal habit of FST and investigate its impact on the physicochemical properties with respect to the commercial FST.</p> Methods <p>An additive-assisted antisolvent crystallisation approach was employed to modify the crystal habit of FST. Different additives such as HPMC, PVP, PEG, Tween 80 &amp; bovine serum albumin (BSA) were explored for their potential to crystal habit modification of FST. Different crystal habits were characterised by DSC, PXRD, FTIR and SEM techniques. Molecular docking and Bravais-Friedel-Donnay-Harker (BFDH) crystal habit prediction were performed to decipher the molecular interaction between FST and additives.</p> Results <p>The result showed that FST was recrystallised from ethanol: water (80:20) in the presence of BSA (1%) into plate-like crystal habits (FST-P). DSC, PXRD and FTIR characterisation revealed that the presence of BSA not only induced habit modification but also facilitated a solid form transformation into a stable polymorph (form G). Molecular docking and BFDH studies provided mechanistic insights into the inhibition of the fastest growing (011) facets through surface adsorption and hydrophobic interactions between FST and BSA residues. Besides, crystallisation conditions further facilitate the elongation of (10 − 2) facets, resulting in the plate-like crystal habit (FST-P). Engineered plate habit revealed improved solubility (2.1-fold) and dissolution rate (1.5-fold) over the commercial drug.</p> Conclusion <p>Additive-assisted crystal habit modification is a potential approach in improving the physicochemical parameters of BCS class II molecule such as febuxostat.</p>