Dicyclohexyl(o-tolyl)phosphine

Introduction

CAS No. :	173593-25-4	MDL No. :	MFCD08276773
Formula :	C19H29P	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MKHYBAIPMJGEQO-UHFFFAOYSA-N
M.W :	288.41	Pubchem ID :	560927
Synonyms :

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.68
Num. rotatable bonds :	3
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	93.53
TPSA :	13.59 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.17 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.9
Log Po/w (XLOGP3) :	5.48
Log Po/w (WLOGP) :	5.77
Log Po/w (MLOGP) :	5.5
Log Po/w (SILICOS-IT) :	6.19
Consensus Log Po/w :	5.37

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.1
Solubility :	0.00227 mg/ml ; 0.00000786 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.52
Solubility :	0.000865 mg/ml ; 0.000003 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.76
Solubility :	0.0005 mg/ml ; 0.00000173 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.03

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

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