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. Author manuscript; available in PMC: 2013 Oct 1.
Published in final edited form as: Biopharm Drug Dispos. 2012 Aug 21;33(7):366–377. doi: 10.1002/bdd.1800

Table 1.

Chemical/Physiological/Pharmacological Parameters of BCS class II drugs for GastroPlus™ Simulation

Ibuprofen Ketoprofen
MW 206.3 254.3
Dose mg 600a 50f
Dose number 63# 197#
Dose volume mL 250 250
Solubility (pH1.2) mg/mL 2.1 × 10-2b 5.1 × 10-2b
logP 4.0c 2.8g
pKa 4.5d 3.7b
Mean precipitation time sec 900 900
Human Peff × 10-4 cm2/sec 4.10* 8.70h
Body weight kg 70 70
Vc L/kg 0.2e 0.4f
Total clearance L/h/kg 0.10a 0.06f

Vc; Volume of Central Compartment

#

Calculated by GastroPlus™ 7.0

*

Calculated by ADMET Predictor

a

Ref [13]

b

Ref [23]

c

Ref [20]

d

Ref [21]

e

Ref [19]

f

Ref [22]

g

Ref [25]

h

Ref [24]