Copper(II) stearate

Introduction

CAS No. :	660-60-6	MDL No. :	MFCD00050714
Formula :	C36H70CuO4	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	PEVZEFCZINKUCG-UHFFFAOYSA-L
M.W :	630.48	Pubchem ID :	93553
Synonyms :

Physicochemical Properties

Num. heavy atoms :	41
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.94
Num. rotatable bonds :	32
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	176.94
TPSA :	80.26 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	1.51 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-36.95
Log Po/w (XLOGP3) :	16.41
Log Po/w (WLOGP) :	9.99
Log Po/w (MLOGP) :	7.28
Log Po/w (SILICOS-IT) :	6.13
Consensus Log Po/w :	0.57

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	3.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-11.98
Solubility :	0.0000000007 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (Ali) :	-18.27
Solubility :	3.42e-16 mg/ml ; 5.43e-19 mol/l
Class :	Insoluble
Log S (SILICOS-IT) :	-6.11
Solubility :	0.000486 mg/ml ; 0.000000771 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	4.86

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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