Benzyltrimethylsilane

Introduction

CAS No. :	770-09-2	MDL No. :	MFCD00039796
Formula :	C10H16Si	Boiling Point :	-
Linear Structure Formula :	C6H5CH2Si(CH3)3	InChI Key :	MRIWRLGWLMRJIW-UHFFFAOYSA-N
M.W :	164.32	Pubchem ID :	69862
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.4
Num. rotatable bonds :	2
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	53.7
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.45 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.74
Log Po/w (XLOGP3) :	4.02
Log Po/w (WLOGP) :	3.11
Log Po/w (MLOGP) :	3.56
Log Po/w (SILICOS-IT) :	1.84
Consensus Log Po/w :	3.05

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.66
Solubility :	0.0357 mg/ml ; 0.000217 mol/l
Class :	Soluble
Log S (Ali) :	-3.72
Solubility :	0.0311 mg/ml ; 0.000189 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.06
Solubility :	0.0144 mg/ml ; 0.0000875 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.46

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P233-P240-P241+P242+P243-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P370+P378-P403+P235-P501	UN#:	1993
Hazard Statements:	H225-H302+H312+H332	Packing Group:	Ⅲ
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