5-chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

27 July - 02 December 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Specific details on test material used for the study:

- Batch n°: A14JB3414
- Analytical purity: >98.5% (based on chromatographic purity HPLC: 99.96%, base titration: 98.5%, acid titration: 100.4%)
- Expiration date: 01 October 2015
- Storage condition: at room temperature

Key result

Water solubility:

ca. 0.549 g/L

Conc. based on:

test mat. (dissolved fraction)

Remarks:

concentration analysed after centrifugation

Loading of aqueous phase:

2.8 g/L

Incubation duration:

72 h

Temp.:

20 °C

pH:

>= 9.9 - <= 10

Details on results:

Preliminary test
The content of test item dissolved in the water sample was 0.513 g/L after two centrifugation steps and 0.516 g/L after three centrifugation steps. Since the water solubility of the test item in the preliminary test was ≥ 10^(-2) g/L, the flask method was chosen for the main study.

Main test
The results for the samples taken at 24, 48 and 72 hours are given in the table in the next section. The maximum difference (MD) of the concentrations determined in the 24, 48 and 72 hour test samples was ≤ 15%. Based on this, the water solubility of the test item is given as the mean value of the analysed concentrations.
No test item was detected in the pretreated sample from the blank water mixture.

Results for the samples taken at 24, 48 and 72 hours are given in the table underneath.

Stirring time (hours)	Analysed concentration (g/L)	Mean (g/L)	Maximum Difference (MD) (%)	pH
24	0.565	0.549	5.4	9.9
48	0.536			10.0
72	0.545			10.0

Conclusions:

The flask method was applied for the determination of the water solubility of JNJ-119743-AAA (T000990).
The water solubility of the test item at 20°C was 0.549 g/L.
The pH of the aqueous samples was 9.9 – 10.0.

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

supporting study

Study period:

no data

Reliability:

4 (not assignable)

Rationale for reliability incl. deficiencies:

documentation insufficient for assessment

GLP compliance:

not specified

Type of method:

other: no data

Water solubility:

0.5 g/L

Conclusions:

The water solubility of the substance was determined to be 0.5 g/L.

Description of key information

The water solubility of T000990 was determined in a GLP study performed according to the OECD Guideline 105, EU Method A.6 and EPA OPPTS 830.7840 (K1, Brekelmans, 2016) and was reported to be 0.549 g/L at 20°C and pH 9.9-10.0. T000990 is considered "moderately soluble".

Key value for chemical safety assessment

Water solubility:

0.549 g/L

at the temperature of:

20 °C

Additional information

A study for which the reliability was not assignable (K4, J&J PRD) concluded that the water solubility of T000990 is 0.5 g/L which is similar to the result of the key study. This study is considered as supporting study.