Tricyclohexylphosphine

Introduction

CAS No. :	2622-14-2	MDL No. :	MFCD00003853
Formula :	C18H33P	Boiling Point :	-
Linear Structure Formula :	P(CH2CH2CH2CH2CH2CH)3	InChI Key :	WLPUWLXVBWGYMZ-UHFFFAOYSA-N
M.W :	280.43	Pubchem ID :	75806
Synonyms :

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	90.27
TPSA :	13.59 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.2 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.08
Log Po/w (XLOGP3) :	5.37
Log Po/w (WLOGP) :	6.47
Log Po/w (MLOGP) :	5.61
Log Po/w (SILICOS-IT) :	5.8
Consensus Log Po/w :	5.47

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.76
Solubility :	0.00483 mg/ml ; 0.0000172 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.41
Solubility :	0.00109 mg/ml ; 0.0000039 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-4.3
Solubility :	0.0142 mg/ml ; 0.0000505 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.25

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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