Table 3.

Physicochemical properties for dapivirine and MC1220

Property	Dapivirine	MC1220
Molecular weight (g/mol)	329.40	293.31
Water solubility (μg/mL)	0.02 ± 0.003a	0.31 ± 0.08b
SVF solubility (μg/mL)	N/A	0.77 ± 0.08b
pKa at 25°C
measured	5.54 ± 0.02c	2.69 ± 0.14, 10.74 ± 0.15d
predicted	4.74 ± 0.10e	3.86 ± 0.10, 9.62 ± 0.50e
Log P at 25°Cf
measured	2.27g	NA
predicted	5.03 ± 0.55e	2.55 ± 0.57e

NA, not available.

^aModified shake flask method (R. K. Malcolm, unpublished data).

^bShake flask method (this article).

^cTitrimetry in a water/methanol mixture (R. K. Malcolm, unpublished data).

^dTitrimetry in a water/methanol mixture (this article).

^eCalculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994–2012 ACD/Labs) as accessed using the SciFinder database.

^fLogarithm of octanol/water partition coefficient.

^gMaterial Safety Data Sheet (Ajinomoto Omnichem nv).