Tris(trimethylsilyl) phosphate

Introduction

CAS No. :	10497-05-9	MDL No. :	MFCD00008267
Formula :	C9H27O4PSi3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QJMMCGKXBZVAEI-UHFFFAOYSA-N
M.W :	314.54	Pubchem ID :	25317
Synonyms :

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	6
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	80.9
TPSA :	54.57 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.53 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.82
Log Po/w (XLOGP3) :	3.79
Log Po/w (WLOGP) :	4.65
Log Po/w (MLOGP) :	1.36
Log Po/w (SILICOS-IT) :	-2.2
Consensus Log Po/w :	2.28

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.78
Solubility :	0.052 mg/ml ; 0.000165 mol/l
Class :	Soluble
Log S (Ali) :	-4.63
Solubility :	0.00737 mg/ml ; 0.0000234 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-2.9
Solubility :	0.397 mg/ml ; 0.00126 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P261-P305+P351+P338	UN#:	1993
Hazard Statements:	H225-H315-H319-H335	Packing Group:	Ⅱ
GHS Pictogram:

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