Ethyldiphenylphosphine

Introduction

CAS No. :	607-01-2	MDL No. :	MFCD00015170
Formula :	C14H15P	Boiling Point :	-
Linear Structure Formula :	(C6H5)2PCH2CH3	InChI Key :	WUOIAOOSKMHJOV-UHFFFAOYSA-N
M.W :	214.24	Pubchem ID :	69082
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.14
Num. rotatable bonds :	3
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	69.74
TPSA :	13.59 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.18 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.98
Log Po/w (XLOGP3) :	3.42
Log Po/w (WLOGP) :	3.14
Log Po/w (MLOGP) :	4.41
Log Po/w (SILICOS-IT) :	4.74
Consensus Log Po/w :	3.74

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.72
Solubility :	0.0411 mg/ml ; 0.000192 mol/l
Class :	Soluble
Log S (Ali) :	-3.39
Solubility :	0.0882 mg/ml ; 0.000412 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.82
Solubility :	0.000322 mg/ml ; 0.0000015 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.16

Signal Word:	Danger	Class:	9
Precautionary Statements:	P501-P273-P260-P270-P264-P280-P391-P314-P337+P313-P305+P351+P338-P301+P312+P330	UN#:	3082
Hazard Statements:	H302-H319-H372-H410	Packing Group:	Ⅲ
GHS Pictogram:

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