Diphenyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine

Introduction

CAS No. :	819867-23-7	MDL No. :	MFCD26961066
Formula :	C33H37P	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	HCULUUWFPUUYEE-UHFFFAOYSA-N
M.W :	464.62	Pubchem ID :	71651620
Synonyms :

Physicochemical Properties

Num. heavy atoms :	34
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.27
Num. rotatable bonds :	7
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	154.32
TPSA :	13.59 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-2.31 cm/s

Lipophilicity

Log Po/w (iLOGP) :	5.04
Log Po/w (XLOGP3) :	9.61
Log Po/w (WLOGP) :	8.48
Log Po/w (MLOGP) :	8.04
Log Po/w (SILICOS-IT) :	10.45
Consensus Log Po/w :	8.32

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-8.84
Solubility :	0.000000679 mg/ml ; 0.0000000015 mol/l
Class :	Poorly soluble
Log S (Ali) :	-9.81
Solubility :	0.0000000721 mg/ml ; 0.0000000002 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-12.39
Solubility :	0.0000000002 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.07

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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