CAS RN: 14168-73-1
magnesium sulphate monohydrate
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS14168-73-1
- Purity/Analytical Methods: >99.0%
14168-73-1 / magnesium;sulfate;hydrate
Basic Information
CAS
14168-73-1
Multi CAS
No
Molecular Formula
H2MgO5S
Molecular Weight
138.390000
Exact Mass
137.947336
SMILES
O.[O-]S(=O)(=O)[O-].[Mg+2]
InChI
InChI=1S/Mg.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2
InChIKey
LFCFXZHKDRJMNS-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
19.84
TPSA
111.76
LogP / Solubility
WLOGP
-2.54
MLOGP
-2.25
XLogP3
-2.54
Consensus LogP
-2.44
Log S (ESOL)
0.9
Class (ESOL)
Highly soluble
Log S (Ali)
1.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.55
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)
-5.37
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
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 111 of 111 companies. For more detailed information, please visit ECHA C&L website.
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