6267-02-3 9,9-Dimethyl-9,10-dihydroacridine

Introduction

CAS No. :	6267-02-3	MDL No. :	MFCD00030130
Formula :	C15H15N	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	JSEQNGYLWKBMJI-UHFFFAOYSA-N
M.W :	209.29	Pubchem ID :	22647
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.2
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	1.0
Molar Refractivity :	71.43
TPSA :	12.03 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-4.5 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.45
Log Po/w (XLOGP3) :	4.34
Log Po/w (WLOGP) :	3.69
Log Po/w (MLOGP) :	3.74
Log Po/w (SILICOS-IT) :	3.81
Consensus Log Po/w :	3.61

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.43
Solubility :	0.00783 mg/ml ; 0.0000374 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.31
Solubility :	0.0103 mg/ml ; 0.0000493 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.01
Solubility :	0.000206 mg/ml ; 0.000000984 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.49

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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