1,1,1,3,3,5,5,7,7,9,9,11,11,13,13,13-Hexadecamethylheptasiloxane

Introduction

CAS No. :	541-01-5	MDL No. :	MFCD05663924
Formula :	C16H48O6Si7	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NFVSFLUJRHRSJG-UHFFFAOYSA-N
M.W :	533.15	Pubchem ID :	10912
Synonyms :

Physicochemical Properties

Num. heavy atoms :	29
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	12
Num. H-bond acceptors :	6.0
Num. H-bond donors :	0.0
Molar Refractivity :	140.61
TPSA :	55.38 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.91 cm/s

Lipophilicity

Log Po/w (iLOGP) :	6.36
Log Po/w (XLOGP3) :	7.95
Log Po/w (WLOGP) :	6.26
Log Po/w (MLOGP) :	0.15
Log Po/w (SILICOS-IT) :	-6.14
Consensus Log Po/w :	2.92

Druglikeness

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

Water Solubility

Log S (ESOL) :	-7.36
Solubility :	0.0000232 mg/ml ; 0.0000000434 mol/l
Class :	Poorly soluble
Log S (Ali) :	-8.96
Solubility :	0.000000579 mg/ml ; 0.0000000011 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-5.03
Solubility :	0.00498 mg/ml ; 0.00000933 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	6.0

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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