[(5-Bromopentyl)oxy](tert-butyl)dimethylsilane

Introduction

CAS No. :	85514-43-8	MDL No. :	MFCD20261073
Formula :	C11H25BrOSi	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KOZQNKNVCXHJPO-UHFFFAOYSA-N
M.W :	281.31	Pubchem ID :	14381200
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	7
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	71.81
TPSA :	9.23 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) :	-4.69 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.83
Log Po/w (XLOGP3) :	4.69
Log Po/w (WLOGP) :	4.57
Log Po/w (MLOGP) :	3.55
Log Po/w (SILICOS-IT) :	2.49
Consensus Log Po/w :	3.83

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.08
Solubility :	0.0236 mg/ml ; 0.0000838 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.61
Solubility :	0.00688 mg/ml ; 0.0000244 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-4.58
Solubility :	0.00737 mg/ml ; 0.0000262 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.52

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P201-P261-P280-P301+P310-P311	UN#:	2810
Hazard Statements:	H301-H311-H331-H341	Packing Group:	Ⅲ
GHS Pictogram:

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