Lithium Stearate

Introduction

CAS No. :	4485-12-5	MDL No. :	MFCD00042032
Formula :	C18H35LiO2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HGPXWXLYXNVULB-UHFFFAOYSA-M
M.W :	290.41	Pubchem ID :	517357
Synonyms :

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.94
Num. rotatable bonds :	16
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	88.47
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) :	-2.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-9.77
Log Po/w (XLOGP3) :	8.23
Log Po/w (WLOGP) :	5.0
Log Po/w (MLOGP) :	4.67
Log Po/w (SILICOS-IT) :	6.13
Consensus Log Po/w :	2.85

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	1.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.77
Solubility :	0.000494 mg/ml ; 0.0000017 mol/l
Class :	Moderately soluble
Log S (Ali) :	-8.93
Solubility :	0.000000338 mg/ml ; 0.0000000012 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-6.11
Solubility :	0.000224 mg/ml ; 0.000000771 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.66

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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