2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

Introduction

CAS No. :	98327-87-8	MDL No. :	MFCD00010805
Formula :	C44H32P2	Boiling Point :	-
Linear Structure Formula :	(C6H4C4H2P(C6H5)2)2	InChI Key :	MUALRAIOVNYAIW-UHFFFAOYSA-N
M.W :	622.67	Pubchem ID :	634876
Synonyms :		Chemical Name :	2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

Physicochemical Properties

Num. heavy atoms :	46
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 :	204.3
TPSA :	27.18 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) :	-1.99 cm/s

Lipophilicity

Log Po/w (iLOGP) :	5.36
Log Po/w (XLOGP3) :	11.42
Log Po/w (WLOGP) :	9.18
Log Po/w (MLOGP) :	9.23
Log Po/w (SILICOS-IT) :	12.45
Consensus Log Po/w :	9.53

Druglikeness

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

Water Solubility

Log S (ESOL) :	-11.14
Solubility :	0.0000000045 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (Ali) :	-11.97
Solubility :	0.0000000007 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (SILICOS-IT) :	-18.22
Solubility :	3.75e-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 :	5.94

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

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