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CAS 53408-95-0 MAGNESIUM PHOSPHATE HYDRATE molecular structure lightbox
CAS RN: 53408-95-0

MAGNESIUM PHOSPHATE HYDRATE

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Batchno.20260527 500g In stock Inquiry
  • Product code: starshine_CAS53408-95-0
  • Purity/Analytical Methods: >99.0%
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53408-95-0 / trimagnesium;diphosphate;hydrate

Standard CAS: 53408-95-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53408-95-0
Multi CAS
Yes
Molecular Formula
H2Mg3O9P2
Molecular Weight
280.870000
Exact Mass
279.872531
InChI
InChI=1S/3Mg.2H3O4P.H2O/c;;;2*1-5(2,3)4;/h;;;2*(H3,1,2,3,4);1H2/q3*+2;;;/p-6
InChIKey
WESIJKDWGUWFEP-UHFFFAOYSA-H

Computed Properties

Structural Parameters

Heavy atom count
14
H-bond acceptors
8
H-bond donors
1
Molar refractivity
36.09
TPSA
204

LogP / Solubility

WLOGP
-7.62
MLOGP
-6.69
XLogP3
-7.62
Consensus LogP
-7.31
Log S (ESOL)
3.22
Class (ESOL)
Highly soluble
Log S (Ali)
3.64
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.84
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)
-9.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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