126990-35-0 Dicyclopentyldimethoxysilane

Introduction

CAS No. :	126990-35-0	MDL No. :	MFCD01074471
Formula :	C12H24O2Si	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	JWCYDYZLEAQGJJ-UHFFFAOYSA-N
M.W :	228.40	Pubchem ID :	9794573
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	65.61
TPSA :	18.46 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) :	-4.85 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.35
Log Po/w (XLOGP3) :	4.01
Log Po/w (WLOGP) :	3.61
Log Po/w (MLOGP) :	2.09
Log Po/w (SILICOS-IT) :	1.49
Consensus Log Po/w :	2.91

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.52
Solubility :	0.0692 mg/ml ; 0.000303 mol/l
Class :	Soluble
Log S (Ali) :	-4.1
Solubility :	0.0181 mg/ml ; 0.0000794 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-2.56
Solubility :	0.626 mg/ml ; 0.00274 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.32

Signal Word:	Danger	Class:	9
Precautionary Statements:	P501-P273-P264-P280-P302+P352-P391-P362+P364-P332+P313-P305+P351+P338+P310	UN#:	3082
Hazard Statements:	H315-H318-H410	Packing Group:	Ⅲ
GHS Pictogram:

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