Potassium trimethylsilanolate

Introduction

CAS No. :	10519-96-7	MDL No. :	MFCD00013421
Formula :	C3H9KOSi	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LBKJNHPKYFYCLL-UHFFFAOYSA-N
M.W :	128.29	Pubchem ID :	23668039
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	24.03
TPSA :	23.06 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	0.97
Log Po/w (WLOGP) :	1.25
Log Po/w (MLOGP) :	0.29
Log Po/w (SILICOS-IT) :	-1.23
Consensus Log Po/w :	0.26

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.25
Solubility :	7.27 mg/ml ; 0.0567 mol/l
Class :	Very soluble
Log S (Ali) :	-1.04
Solubility :	11.6 mg/ml ; 0.0908 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.47
Solubility :	43.2 mg/ml ; 0.337 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.22

Signal Word:	Danger	Class:	8
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	3263
Hazard Statements:	H314	Packing Group:	Ⅱ
GHS Pictogram:

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