(Chloromethyl)triisopropoxysilane

Introduction

CAS No. :	18162-82-8	MDL No. :	MFCD05664343
Formula :	C10H23ClO3Si	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	SAKYAANYXZKYEK-UHFFFAOYSA-N
M.W :	254.83	Pubchem ID :	16217502
Synonyms :		Chemical Name :	(Chloromethyl)triisopropoxysilane

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	7
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	66.1
TPSA :	27.69 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) :	-5.52 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.42
Log Po/w (XLOGP3) :	3.29
Log Po/w (WLOGP) :	2.98
Log Po/w (MLOGP) :	1.32
Log Po/w (SILICOS-IT) :	1.06
Consensus Log Po/w :	2.42

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.03
Solubility :	0.237 mg/ml ; 0.000932 mol/l
Class :	Soluble
Log S (Ali) :	-3.55
Solubility :	0.0724 mg/ml ; 0.000284 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.7
Solubility :	0.508 mg/ml ; 0.002 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	4.52

Signal Word:	Danger	Class:	8
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	1760
Hazard Statements:	H315-H318-H335	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