TY - JOUR
T1 - Estimation of the aqueous solubility of weak electrolytes
AU - Jain, Neera
AU - Yang, Gang
AU - Machatha, Stephen G.
AU - Yalkowsky, Samuel H.
PY - 2006/8/17
Y1 - 2006/8/17
N2 - Jain and Yalkowsky [Jain, N., Yalkowsky, S.H., 2001. Estimation of the aqueous solubility. I. Application to organic non-electrolytes. J. Pharm. Sci. 90, 234-252.] demonstrated that the general solubility equation (GSE) can be used to estimate the aqueous solubility of organic non-electrolytes. In this study the applicability of the GSE was extended to weak electrolytes. It is demonstrated that the GSE estimates the aqueous solubility of 949 compounds, including 367 weak electrolytes with an AAE of 0.58. It is also shown that the intrinsic solubilities of weak acids for which the pKa + log Sw ≤ 0 and for weak bases for which pKa - log Sw ≤ 14 are within a factor of 2 of the total solubilities.
AB - Jain and Yalkowsky [Jain, N., Yalkowsky, S.H., 2001. Estimation of the aqueous solubility. I. Application to organic non-electrolytes. J. Pharm. Sci. 90, 234-252.] demonstrated that the general solubility equation (GSE) can be used to estimate the aqueous solubility of organic non-electrolytes. In this study the applicability of the GSE was extended to weak electrolytes. It is demonstrated that the GSE estimates the aqueous solubility of 949 compounds, including 367 weak electrolytes with an AAE of 0.58. It is also shown that the intrinsic solubilities of weak acids for which the pKa + log Sw ≤ 0 and for weak bases for which pKa - log Sw ≤ 14 are within a factor of 2 of the total solubilities.
KW - GSE
KW - Solubility
KW - Weak electrolytes
KW - pKa
UR - http://www.scopus.com/inward/record.url?scp=33745898815&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=33745898815&partnerID=8YFLogxK
U2 - 10.1016/j.ijpharm.2006.04.022
DO - 10.1016/j.ijpharm.2006.04.022
M3 - Article
C2 - 16839718
AN - SCOPUS:33745898815
SN - 0378-5173
VL - 319
SP - 169
EP - 171
JO - International Journal of Pharmaceutics
JF - International Journal of Pharmaceutics
IS - 1-2
ER -