(2'-Methyl-[1,1'-biphenyl]-2-yl)diphenylphosphine

Introduction

CAS No. :	402822-72-4	MDL No. :	MFCD19441232
Formula :	C25H21P	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	GUENDLLDUNRPIC-UHFFFAOYSA-N
M.W :	352.41	Pubchem ID :	15531745
Synonyms :

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.04
Num. rotatable bonds :	4
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	115.55
TPSA :	13.59 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.76 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.84
Log Po/w (XLOGP3) :	6.6
Log Po/w (WLOGP) :	5.42
Log Po/w (MLOGP) :	6.48
Log Po/w (SILICOS-IT) :	7.54
Consensus Log Po/w :	5.98

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.6
Solubility :	0.0000881 mg/ml ; 0.00000025 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.69
Solubility :	0.0000727 mg/ml ; 0.000000206 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-10.4
Solubility :	0.0000000139 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.4

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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