tert-Butyl (3-((tert-butyldimethylsilyl)oxy)-2-oxopropyl)carbamate

Introduction

CAS No. :	184429-84-3	MDL No. :	MFCD24466259
Formula :	C14H29NO4Si	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	GPCWVDDNSMMEGI-UHFFFAOYSA-N
M.W :	303.47	Pubchem ID :	11709260
Synonyms :

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.86
Num. rotatable bonds :	9
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	83.08
TPSA :	64.63 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) :	-5.77 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.48
Log Po/w (XLOGP3) :	3.35
Log Po/w (WLOGP) :	3.1
Log Po/w (MLOGP) :	1.43
Log Po/w (SILICOS-IT) :	0.93
Consensus Log Po/w :	2.46

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.24
Solubility :	0.175 mg/ml ; 0.000578 mol/l
Class :	Soluble
Log S (Ali) :	-4.38
Solubility :	0.0125 mg/ml ; 0.0000412 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-3.41
Solubility :	0.119 mg/ml ; 0.000392 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.93

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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