Triisopropylsilane

Introduction

CAS No. :	6485-79-6	MDL No. :	MFCD00009657
Formula :	C9H22Si	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZGYICYBLPGRURT-UHFFFAOYSA-N
M.W :	158.36	Pubchem ID :	6327611
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
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 :	53.58
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-4.19 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.05
Log Po/w (XLOGP3) :	4.33
Log Po/w (WLOGP) :	3.44
Log Po/w (MLOGP) :	3.61
Log Po/w (SILICOS-IT) :	1.3
Consensus Log Po/w :	3.14

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.35
Solubility :	0.0705 mg/ml ; 0.000445 mol/l
Class :	Soluble
Log S (Ali) :	-4.04
Solubility :	0.0143 mg/ml ; 0.0000903 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-2.44
Solubility :	0.575 mg/ml ; 0.00363 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.95

Signal Word:	Danger	Class:	3
Precautionary Statements:	P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235	UN#:	1993
Hazard Statements:	H225-H315-H319	Packing Group:	Ⅲ
GHS Pictogram:

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