Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP study according to EU/OECD guidelines.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
1-difluoromethanesulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-1H-indol-2-ol
EC Number:
930-430-2
Cas Number:
1383692-20-3
Molecular formula:
C14H11F3N4O5S
IUPAC Name:
1-difluoromethanesulfonyl-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-1H-indol-2-ol

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
1 585
Temp.:
25 °C
pH:
2
Type:
Pow
Partition coefficient:
0.8
Temp.:
25 °C
pH:
7
Type:
log Pow
Partition coefficient:
3.2
Temp.:
25 °C
pH:
2
Type:
log Pow
Partition coefficient:
-0.1
Temp.:
25 °C
pH:
7

Applicant's summary and conclusion

Conclusions:
The partition coefficients of the test item were at 25 °C:
partition coefficient pH2 pH7
log Pow 3.2 -0.1
Pow 1585 0.8