Phenoxydiphenylphosphine

Introduction

CAS No. :	13360-92-4	MDL No. :	MFCD00046055
Formula :	C18H15OP	Boiling Point :	No data available
Linear Structure Formula :	P(OC6H5)(C6H5)2	InChI Key :	UPDNYUVJHQABBS-UHFFFAOYSA-N
M.W :	278.28	Pubchem ID :	11543680
Synonyms :

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	86.14
TPSA :	22.82 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.51 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.44
Log Po/w (XLOGP3) :	4.91
Log Po/w (WLOGP) :	4.11
Log Po/w (MLOGP) :	4.36
Log Po/w (SILICOS-IT) :	5.0
Consensus Log Po/w :	4.36

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.06
Solubility :	0.00242 mg/ml ; 0.0000087 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.13
Solubility :	0.00208 mg/ml ; 0.00000749 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-7.28
Solubility :	0.0000146 mg/ml ; 0.0000000526 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.39

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

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