Dichloro [(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphathyl] ruthenium(II)

Introduction

CAS No. :	132071-87-5	MDL No. :	MFCD01073794
Formula :	C44H32Cl2P2Ru	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	YEKBVMDAGDTOQB-UHFFFAOYSA-L
M.W :	794.65	Pubchem ID :	11136527
Synonyms :

Physicochemical Properties

Num. heavy atoms :	49
Num. arom. heavy atoms :	44
Fraction Csp3 :	0.0
Num. rotatable bonds :	7
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	216.01
TPSA :	27.18 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-1.9 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	13.02
Log Po/w (WLOGP) :	10.56
Log Po/w (MLOGP) :	9.55
Log Po/w (SILICOS-IT) :	12.45
Consensus Log Po/w :	9.12

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	3.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-13.17
Solubility :	0.0000000001 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (Ali) :	-13.63
Solubility :	0.0 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (SILICOS-IT) :	-18.22
Solubility :	4.79e-16 mg/ml ; 6.03e-19 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	6.06

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

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