2,2,4,4,6,6,8,8,10,10-Decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

Introduction

CAS No. :	541-02-6	MDL No. :	MFCD00046966
Formula :	C10H30O5Si5	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XMSXQFUHVRWGNA-UHFFFAOYSA-N
M.W :	370.77	Pubchem ID :	10913
Synonyms :		Chemical Name :	2,2,4,4,6,6,8,8,10,10-Decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	5.0
Num. H-bond donors :	0.0
Molar Refractivity :	92.84
TPSA :	46.15 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) :	-4.99 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.4
Log Po/w (XLOGP3) :	5.03
Log Po/w (WLOGP) :	3.59
Log Po/w (MLOGP) :	-1.04
Log Po/w (SILICOS-IT) :	-4.09
Consensus Log Po/w :	1.58

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.31
Solubility :	0.00183 mg/ml ; 0.00000492 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.74
Solubility :	0.000675 mg/ml ; 0.00000182 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-2.91
Solubility :	0.452 mg/ml ; 0.00122 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.4

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P273-P210-P264-P280-P370+P378-P337+P313-P305+P351+P338-P332+P313-P403+P235-P501	UN#:	N/A
Hazard Statements:	H227-H315-H319-H413	Packing Group:	N/A
GHS Pictogram:

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