CAS RN: 5698-98-6
MAGNESIUM ACRYLATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS5698-98-6
- Purity/Analytical Methods: >99.0%
5698-98-6 / magnesium bis(prop-2-enoate)
Basic Information
CAS
5698-98-6
Multi CAS
Yes
Molecular Formula
C6H6MgO4
Molecular Weight
166.410000
Exact Mass
166.011650
InChI
InChI=1S/2C3H4O2.Mg/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2
InChIKey
DWLAVVBOGOXHNH-UHFFFAOYSA-L
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
36.16
TPSA
80.26
LogP / Solubility
WLOGP
-2.54
MLOGP
-2.24
XLogP3
-2.54
Consensus LogP
-2.44
Log S (ESOL)
0.86
Class (ESOL)
Highly soluble
Log S (Ali)
0.91
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.12
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-5.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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