3-(1,1,1,5,5,5-Hexamethyl-3-((trimethylsilyl)oxy)trisiloxan-3-yl)propyl methacrylate

Introduction

CAS No. :	17096-07-0	MDL No. :	MFCD00053871
Formula :	C16H38O5Si4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BESKSSIEODQWBP-UHFFFAOYSA-N
M.W :	422.81	Pubchem ID :	123371
Synonyms :

Physicochemical Properties

Num. heavy atoms :	25
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.81
Num. rotatable bonds :	12
Num. H-bond acceptors :	5.0
Num. H-bond donors :	0.0
Molar Refractivity :	114.56
TPSA :	53.99 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.52 cm/s

Lipophilicity

Log Po/w (iLOGP) :	5.18
Log Po/w (XLOGP3) :	6.14
Log Po/w (WLOGP) :	4.99
Log Po/w (MLOGP) :	1.53
Log Po/w (SILICOS-IT) :	-1.65
Consensus Log Po/w :	3.24

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.54
Solubility :	0.00123 mg/ml ; 0.0000029 mol/l
Class :	Moderately soluble
Log S (Ali) :	-7.06
Solubility :	0.0000371 mg/ml ; 0.0000000878 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-4.64
Solubility :	0.00964 mg/ml ; 0.0000228 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	4.24

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

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine