9-Amino-1,2,3,4-tetrahydroacridin-1-ol

Introduction

CAS No. :	124027-47-0	MDL No. :	MFCD00600017
Formula :	C13H14N2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HLVVITIHAZBPKB-UHFFFAOYSA-N
M.W :	214.26	Pubchem ID :	3655
Synonyms :		Chemical Name :	9-Amino-1,2,3,4-tetrahydroacridin-1-ol

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.31
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	64.74
TPSA :	59.14 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.61 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.01
Log Po/w (XLOGP3) :	1.41
Log Po/w (WLOGP) :	1.87
Log Po/w (MLOGP) :	1.45
Log Po/w (SILICOS-IT) :	2.18
Consensus Log Po/w :	1.78

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.52
Solubility :	0.648 mg/ml ; 0.00303 mol/l
Class :	Soluble
Log S (Ali) :	-2.26
Solubility :	1.19 mg/ml ; 0.00554 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.65
Solubility :	0.0477 mg/ml ; 0.000223 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.57

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:

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