Dichlorobis(2-ethylhexyl)silane

Introduction

CAS No. :	1089687-03-5	MDL No. :	MFCD22370170
Formula :	C16H34Cl2Si	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BXDGSXMFTGZLDT-UHFFFAOYSA-N
M.W :	325.43	Pubchem ID :	22023834
Synonyms :

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	12
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	96.49
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-1.51 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.62
Log Po/w (XLOGP3) :	9.54
Log Po/w (WLOGP) :	7.34
Log Po/w (MLOGP) :	6.01
Log Po/w (SILICOS-IT) :	5.58
Consensus Log Po/w :	6.62

Druglikeness

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

Water Solubility

Log S (ESOL) :	-7.08
Solubility :	0.0000273 mg/ml ; 0.000000084 mol/l
Class :	Poorly soluble
Log S (Ali) :	-9.45
Solubility :	0.000000115 mg/ml ; 0.0000000004 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-6.89
Solubility :	0.0000423 mg/ml ; 0.00000013 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.02

Signal Word:	Danger	Class:	8
Precautionary Statements:	P501-P210-P234-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405	UN#:	3265
Hazard Statements:	H314-H227-H290	Packing Group:	Ⅱ
GHS Pictogram:

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