(Iodomethyl)trimethylsilane

Introduction

CAS No. :	4206-67-1	MDL No. :	MFCD00001077
Formula :	C4H11ISi	Boiling Point :	-
Linear Structure Formula :	ICH2Si(CH3)3	InChI Key :	VZNYXGQMDSRJAL-UHFFFAOYSA-N
M.W :	214.12	Pubchem ID :	77877
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	42.17
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) :	-5.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.35
Log Po/w (XLOGP3) :	3.35
Log Po/w (WLOGP) :	2.3
Log Po/w (MLOGP) :	2.6
Log Po/w (SILICOS-IT) :	0.57
Consensus Log Po/w :	2.23

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.21
Solubility :	0.131 mg/ml ; 0.000614 mol/l
Class :	Soluble
Log S (Ali) :	-3.03
Solubility :	0.201 mg/ml ; 0.000939 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.51
Solubility :	0.666 mg/ml ; 0.00311 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.41

Signal Word:	Danger	Class:	3,8
Precautionary Statements:	P261-P305+P351+P338	UN#:	2924
Hazard Statements:	H225-H315-H318-H335	Packing Group:	Ⅲ
GHS Pictogram:

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