Diphenyl-2-pyridylphosphine

Introduction

CAS No. :	37943-90-1	MDL No. :	MFCD00192108
Formula :	C17H14NP	Boiling Point :	-
Linear Structure Formula :	P(C6H5)2(NC5H4)	InChI Key :	SVABQOITNJTVNJ-UHFFFAOYSA-N
M.W :	263.27	Pubchem ID :	621893
Synonyms :		Chemical Name :	Diphenyl-2-pyridylphosphine

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	82.94
TPSA :	26.48 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 :	Yes
Log Kp (skin permeation) :	-5.16 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.0
Log Po/w (XLOGP3) :	3.87
Log Po/w (WLOGP) :	2.84
Log Po/w (MLOGP) :	3.46
Log Po/w (SILICOS-IT) :	4.93
Consensus Log Po/w :	3.62

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.41
Solubility :	0.0102 mg/ml ; 0.0000386 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.12
Solubility :	0.0198 mg/ml ; 0.0000753 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-7.17
Solubility :	0.0000178 mg/ml ; 0.0000000675 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.84

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P273-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335-H413	Packing Group:	N/A
GHS Pictogram:

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