Registration Dossier
Registration Dossier
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EC number: 616-145-3 | CAS number: 74852-61-2
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- 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.
Reference
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
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