123237-62-7 tert-Butyldimethylsilyl (S)-(+)-glycidyl ether

Introduction

CAS No. :	123237-62-7	MDL No. :	MFCD01862148
Formula :	C9H20O2Si	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YANSSVVGZPNSKD-QMMMGPOBSA-N
M.W :	188.34	Pubchem ID :	10954307
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	53.3
TPSA :	21.76 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) :	-5.64 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.88
Log Po/w (XLOGP3) :	2.55
Log Po/w (WLOGP) :	2.41
Log Po/w (MLOGP) :	1.22
Log Po/w (SILICOS-IT) :	1.01
Consensus Log Po/w :	2.01

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.35
Solubility :	0.841 mg/ml ; 0.00446 mol/l
Class :	Soluble
Log S (Ali) :	-2.65
Solubility :	0.417 mg/ml ; 0.00222 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.18
Solubility :	1.25 mg/ml ; 0.00665 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.9

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H319	Packing Group:	N/A
GHS Pictogram:

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