5,10-Dimethyl-5,10-dihydrophenazine

Introduction

CAS No. :	15546-75-5	MDL No. :	MFCD00092904
Formula :	C14H14N2	Boiling Point :	-
Linear Structure Formula :	(C6H4)2N2(CH3)2	InChI Key :	GVTGSIMRZRYNEI-UHFFFAOYSA-N
M.W :	210.27	Pubchem ID :	288679
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	14
Fraction Csp3 :	0.14
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	68.77
TPSA :	9.86 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.52 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.25
Log Po/w (XLOGP3) :	2.9
Log Po/w (WLOGP) :	3.23
Log Po/w (MLOGP) :	2.94
Log Po/w (SILICOS-IT) :	2.28
Consensus Log Po/w :	2.72

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.62
Solubility :	0.0507 mg/ml ; 0.000241 mol/l
Class :	Soluble
Log S (Ali) :	-2.77
Solubility :	0.359 mg/ml ; 0.00171 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.14
Solubility :	0.0152 mg/ml ; 0.0000723 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.66

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P261-P280-P301+P310-P305+P351+P338-P311	UN#:	2811
Hazard Statements:	H301-H311-H315-H319-H331-H335	Packing Group:	Ⅲ
GHS Pictogram:

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