124172-53-8 N,N'-(Hexane-1,6-diyl)bis(N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide)

Introduction

CAS No. :	124172-53-8	MDL No. :	MFCD25292833
Formula :	C11H14N2O2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	UONLDZHKYCFZRW-UHFFFAOYSA-N
M.W :	450.70	Pubchem ID :	14419064
Synonyms :

Physicochemical Properties

Num. heavy atoms :	32
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.92
Num. rotatable bonds :	11
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	143.42
TPSA :	64.68 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.64 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.94
Log Po/w (XLOGP3) :	3.4
Log Po/w (WLOGP) :	3.32
Log Po/w (MLOGP) :	3.35
Log Po/w (SILICOS-IT) :	4.31
Consensus Log Po/w :	3.87

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.05
Solubility :	0.0401 mg/ml ; 0.0000891 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.44
Solubility :	0.0165 mg/ml ; 0.0000365 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.22
Solubility :	0.000269 mg/ml ; 0.000000597 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.5

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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