1-Methoxy-5-methylphenazinium Methyl Sulfate

Introduction

CAS No. :	65162-13-2	MDL No. :	MFCD00040648
Formula :	C15H16N2O5S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MASUWVVNWALEEM-UHFFFAOYSA-M
M.W :	336.36	Pubchem ID :	127832
Synonyms :	1-Methoxy PMS;1-Methoxyphenazine methosulfate;1-methoxy-5-Methylphenazinium (methyl sulfate);1-Methoxy-5-methylphenazinium methyl sulfate	Chemical Name :	1-Methoxy-5-methylphenazinium Methyl Sulfate

Physicochemical Properties

Num. heavy atoms :	23
Num. arom. heavy atoms :	14
Fraction Csp3 :	0.2
Num. rotatable bonds :	2
Num. H-bond acceptors :	6.0
Num. H-bond donors :	0.0
Molar Refractivity :	86.02
TPSA :	100.81 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.01 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-3.83
Log Po/w (XLOGP3) :	1.89
Log Po/w (WLOGP) :	2.39
Log Po/w (MLOGP) :	1.17
Log Po/w (SILICOS-IT) :	2.6
Consensus Log Po/w :	0.85

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.43
Solubility :	0.124 mg/ml ; 0.000368 mol/l
Class :	Soluble
Log S (Ali) :	-3.63
Solubility :	0.0789 mg/ml ; 0.000235 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.7
Solubility :	0.00665 mg/ml ; 0.0000198 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	1.0 alert
Brenk :	4.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.57

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501	UN#:	N/A
Hazard Statements:	H302-H315-H319	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine