Ru(bpy)3(BF4)2

Introduction

CAS No. :	63950-81-2	MDL No. :	N/A
Formula :	C30H24BF4N6Ru	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	656.43	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	42
Num. arom. heavy atoms :	36
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	152.59
TPSA :	29.58 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) :	-4.66 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	7.95
Log Po/w (WLOGP) :	-5.93
Log Po/w (MLOGP) :	1.68
Log Po/w (SILICOS-IT) :	-0.58
Consensus Log Po/w :	0.62

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-9.55
Solubility :	0.000000184 mg/ml ; 0.0000000003 mol/l
Class :	Poorly soluble
Log S (Ali) :	-8.42
Solubility :	0.00000248 mg/ml ; 0.0000000038 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-2.88
Solubility :	0.859 mg/ml ; 0.00131 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.49

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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