(R)-[1,1'-Binaphthalene]-2,2'-diylbis[1,1-diphenyl-1,1'-phosphineoxide]

Introduction

CAS No. :	94041-16-4	MDL No. :	MFCD00822644
Formula :	C44H32O2P2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SEZSRPYCOMAEDL-UHFFFAOYSA-N
M.W :	654.67	Pubchem ID :	10985169
Synonyms :

Physicochemical Properties

Num. heavy atoms :	48
Num. arom. heavy atoms :	44
Fraction Csp3 :	0.0
Num. rotatable bonds :	7
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	205.67
TPSA :	53.76 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 :	Yes
Log Kp (skin permeation) :	-2.97 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.81
Log Po/w (XLOGP3) :	10.31
Log Po/w (WLOGP) :	8.94
Log Po/w (MLOGP) :	7.1
Log Po/w (SILICOS-IT) :	9.79
Consensus Log Po/w :	8.19

Druglikeness

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

Water Solubility

Log S (ESOL) :	-10.61
Solubility :	0.000000016 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (Ali) :	-11.38
Solubility :	0.0000000027 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (SILICOS-IT) :	-17.99
Solubility :	6.7e-16 mg/ml ; 1.02e-18 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.53

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

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