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EC number: 695-745-7 | CAS number: 1079221-49-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From September 29, 2010 to September 30, 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP study conducted in compliance with international guidelines.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- 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)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: individual solibilities in n-octanol and in water by shake-flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 2-({3-aminopyrazolo[1,5-a]pyridin-2-yl}oxy)ethan-1-ol hydrochloride
- EC Number:
- 695-745-7
- Cas Number:
- 1079221-49-0
- Molecular formula:
- C9 H11 N3 O2, ClH
- IUPAC Name:
- 2-({3-aminopyrazolo[1,5-a]pyridin-2-yl}oxy)ethan-1-ol hydrochloride
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- < -3.1
- Remarks on result:
- other: The partition coefficient, log POW, of test item was calculated from the individual solubilities in n-octanol and in water respectively to be 474.5 µg/mL and >584099.2 µg/mL
Applicant's summary and conclusion
- Executive summary:
The determination of the partition coefficient log POW of the test item was performed using the flask shaking method as described in OECD guideline no. 117, “Preliminary estimate of the partition coefficient”. The solubility in water was determined in the preliminary test of Harlan Laboratories study C77461 and the solubility in n-octanol was determined using a simplified flask method. The solubility in water was found to be clearly above the solubility in n-octanol indicating a partition coefficient below -2. Hence, a main test according to OECD Guidelines 107/117 (either HPLC or flask shaking method) could not be applied. Based on the individual solubilities in n-octanol and in water, respectively, the log POW was calculated to be: log POW =< -3.1 at 22°C. The pH in the aqueous phase (determined in Study C77145) was between 1.15 and 1.27.
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