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

Introduction

CAS No. :	76189-55-4	MDL No. :	MFCD00010805
Formula :	C44H32P2	Boiling Point :	-
Linear Structure Formula :	[((C6H5)2PC10H6)2]	InChI Key :	-
M.W :	622.67	Pubchem ID :	-
Synonyms :		Chemical Name :	(R)-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:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine