CAS RN: 299-11-6
Phenazine methosulfate
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS299-11-6
- Purity/Analytical Methods: >99.0%
299-11-6 / 5-methylphenazin-5-ium;methyl sulfate
Basic Information
CAS
299-11-6
Multi CAS
Yes
Molecular Formula
C14H14N2O4S
Molecular Weight
306.340000
Exact Mass
306.067428
InChI
InChI=1S/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
RXGJTUSBYWCRBK-UHFFFAOYSA-M
Physical Properties
Physical Description
Yellow to brown solid; [Merck Index] Yellow crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
77.13
TPSA
83.2
LogP / Solubility
WLOGP
1.31
MLOGP
1.16
XLogP3
1.31
Consensus LogP
1.26
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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