Dicyclohexyl(2,4,6-triisopropylphenyl)phosphine

Introduction

CAS No. :	303111-96-8	MDL No. :	MFCD11656073
Formula :	C27H45P	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	DTSPXGRQYHLKLO-UHFFFAOYSA-N
M.W :	400.62	Pubchem ID :	9801140
Synonyms :

Physicochemical Properties

Num. heavy atoms :	28
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.78
Num. rotatable bonds :	6
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	132.31
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) :	-2.72 cm/s

Lipophilicity

Log Po/w (iLOGP) :	5.17
Log Po/w (XLOGP3) :	8.49
Log Po/w (WLOGP) :	8.83
Log Po/w (MLOGP) :	7.21
Log Po/w (SILICOS-IT) :	9.03
Consensus Log Po/w :	7.74

Druglikeness

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

Water Solubility

Log S (ESOL) :	-7.44
Solubility :	0.0000147 mg/ml ; 0.0000000367 mol/l
Class :	Poorly soluble
Log S (Ali) :	-8.65
Solubility :	0.000000904 mg/ml ; 0.0000000023 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-7.77
Solubility :	0.0000068 mg/ml ; 0.000000017 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.82

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

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