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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
21 October 2015 - 01 April 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Batch n°: I15FB2768
- Analytical purity (acid titration): 100% (base titration)
- Expiration date: 1 July 2017
- Storage condition: at room temperature
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.4
Temp.:
20 °C
pH:
7
Details on results:
Calculation method:
The Pow of the test item was calculated to be 3.5 E3 (log Pow 3.5) using the Rekker calculation method.

HPLC method:
In the chromatogram of the test solution, one test item peak was observed. The signal at approximately 0.7 min derived from DMF.
The calibration curve of the log k’ of the reference substances is seen as function of log Pow. The equation of the regression line was: log k’ = 0.356 x log Pow – 0.881 (r = 0.993, n = 12).
Conclusions:
The HPLC method was applied for the determination of the partition coefficient (Pow) of JNJ-1806792-AAA (T001325).
The Pow value of the test item at pH 7 and 20°C was 2.4 E3. This corresponds to a log Pow value of 3.4.

Description of key information

The partition coefficient of T001325 was determined in a GLP study performed according to OECD Guideline 117, EU Method A.8. and EPA OPPTS 830.7570 (K1, Reingruber, 2017).

The HPLC method was applied for the determination of the partition coefficient (Pow) of JNJ-1806792-AAA (T001325). The Pow value of the test item at pH 7 and 20°C was 2.4 E3. This corresponds to a log Pow value of 3.4.

Key value for chemical safety assessment

Log Kow (Log Pow):
3.4
at the temperature of:
20 °C

Additional information