CAS RN: 30578-37-1
Amezinium methylsulfate
Product Availability
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3 package records1 with current stock1 grade group
- Product code: starshine_CAS30578-37-1
- Purity/Analytical Methods: >99.0%
30578-37-1 / 6-methoxy-1-phenylpyridazin-1-ium-4-amine;methyl sulfate
Basic Information
CAS
30578-37-1
Multi CAS
Yes
Molecular Formula
C12H15N3O5S
Molecular Weight
313.330000
Exact Mass
313.073242
InChI
InChI=1S/C11H11N3O.CH4O4S/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10;1-5-6(2,3)4/h2-8,12H,1H3;1H3,(H,2,3,4)
InChIKey
ZEASXVYVFFXULL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
73.44
TPSA
118.45
LogP / Solubility
WLOGP
0.04
MLOGP
0.05
XLogP3
0.04
Consensus LogP
0.04
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-4.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS30611-20-2
- Purity/Analytical method: >99.0%
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