2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)benzoic acid

Partition coefficient

Administrative data

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

16 August and 28 September 1995

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: done under GLP and OECD method

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

1997

Report date:

1997

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: Directive 92/69/EEC, Method A8

Principles of method if other than guideline:

Test temperature: 20°c ± 0.5°C.

Test 1: aqueous stock solution (10 ml) and octanol saturated with water (50 ml) were combined in an 8 oz screw-capped glass jar and shaken mechanically for 15 minutes. The test was performed in duplicate.

Test 2: as for test 1 except that aqueous stock solution (20 ml) was used. Test 3: as for test 1 except that aqueous stock solution (40 ml) was used.
: 30 :


Blank test: as for test 2 except that water saturated with octanol was used in place of the aqueous stock solution. The blank was performed in duplicate.

GLP compliance:

yes

Type of method:

shake-flask method to: flask method

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Test material form:

solid: crystalline

Details on test material:

Identity: UK-143,108
Chemical name: 2-Ethoxy-5-(4-methyl-1- piperazinesulphonyl)benzoic acid
Expiry: 19 November 1995
Purity: 99.6% (excluding organic solvents)
Appearance: White to off white crystalline solid
Storage conditions: Dark at room temperature
Date received: 19 May 1995

Study design

Analytical method:

high-performance liquid chromatography

Results and discussion

Partition coefficient

Type:

log Pow

Partition coefficient:

-2.37

Temp.:

20 °C

Remarks on result:

other: ± 0.1

Details on results:

The concentration of test substance in the aqueous stock solution was determined as 2950.0 /Lg/ml (mean of individual determinations 2986.0 and 2913.9 /Lg/ml).

Concentration of test substance based on mass of test substance used was 3034.0 /Lg/ml.

The aqueous phase concentrations ranged from 2651.8 - 3116.7 /Lg/ml with pH values of 5.45 - 5.75. The organic phase concentrations ranged from 10.100 - 13.209 J.Lg/ml.

Any other information on results incl. tables

Test	Concentrationoftestsubstanceinorganicphase (µg/ml)	Concentrationoftestsubstanceinaqueousphase(µg/ml)	p	MeanPforeach test	MeanPforalldeterminations	Logp
lA1B   2A 2B   3A 3B	10.100 11.968   12.324 12.749   13.209 12.932	2651.8 2786.2   3116.7 2876.5   2682.4 2994.8	0.0038087 0.0042955   0.0039542 0.0044321   0.0049243 0.0043182	0.0040521     0.0041932     0.0046213	0.0042888	-2.42 -2.37
						-2.40 -2.35   -2.31 -2.36

Applicant's summary and conclusion

Conclusions:

The partition coefficient (n-octanol/water) of UK-143,108 has been determined as:

Log P = -2.37 at 20°c