Potassium oleate

Introduction

CAS No. :	143-18-0	MDL No. :	MFCD00064243
Formula :	C18H33KO2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	MLICVSDCCDDWMD-KVVVOXFISA-M
M.W :	320.55	Pubchem ID :	23665571
Synonyms :

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.83
Num. rotatable bonds :	15
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	88.0
TPSA :	40.13 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-2.83 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-6.54
Log Po/w (XLOGP3) :	7.64
Log Po/w (WLOGP) :	4.77
Log Po/w (MLOGP) :	4.57
Log Po/w (SILICOS-IT) :	5.95
Consensus Log Po/w :	3.28

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.65
Solubility :	0.000717 mg/ml ; 0.00000224 mol/l
Class :	Moderately soluble
Log S (Ali) :	-8.32
Solubility :	0.00000153 mg/ml ; 0.0000000048 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-5.39
Solubility :	0.00129 mg/ml ; 0.00000404 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.2

Signal Word:	Warning	Class:
Precautionary Statements:	P264-P280-P305+P351+P338-P337+P313	UN#:
Hazard Statements:	H319	Packing Group:
GHS Pictogram:

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