Registration Dossier
Registration Dossier
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EC number: 813-811-7 | CAS number: 253265-97-3
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:
- From 2017-11-22 to 2018-08-16
- 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:
- other: EU method A.24 (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
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Batch n°: I16FD3167
- Analytical purity: 98.2%
- Expiration date: 26 October 2018 (retest date)
- Storage condition: In refrigerator (2-8°C) - Analytical method:
- high-performance liquid chromatography
- photometric method
- Key result
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- pH:
- 7
- Remarks on result:
- other: The temperature of the refernce substances was not reported but room temperature is assumed
- Details on results:
- Calculation method
The Pow of the test item was calculated to be < 2.0 (log Pow <0.3) using the Rekker calculation method.
No pKa values for acidic and basic groups in the molecular structure of the test item in the logarithm range of 1-14 were calculated.
Main study
In the chromatogram of all test solutions, responses with a retention time of approx. 0.6 min were observed.
Under the same analytical conditions, the retention time of 2-butanone (log Pow = 0.3) was 0.72 min. Hence, it was concluded that the log Pow of the test item and the log Pow of its aqueous degradation product was <0.3 (Pow < 2.0). - Conclusions:
- The HPLC method at pH 7 was applied for the determination of the partition coefficient (Pow) of JNJ-26144612-AAA (T002632).
The Pow value of the test item at pH 7 was <2.0. This corresponds to a log Pow value of <0.3.
Reference
Pow of the test item at neutrual pH
| Substance | tr,1 [min] | tr,2[min] | mean tr (n=2) | log Pow | Pow |
| Test solution 1 | 0.617 | 0.617 | 0.617 | <0.3 | <2.0 |
| Test solution 2 | 0.593 | 0.562 | 0.578 | <0.3 | <2.0 |
| Test solution 3 | 0.643 | 0.645 | 0.644 | <0.3 | <2.0 |
Description of key information
The partition coefficient was determined in a GLP study performed according to OECD Guideline 117, EU Method A.8. and EPA OPPTS 830.7550 (K1, Reingruber, 2019) using the HPLC method at pH 7. The Pow value of the test item at pH 7 was determined to be <2.0. This corresponds to a log Pow value of <0.3.
Key value for chemical safety assessment
Additional information
log Pow value of <0.3
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