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CAS 13446-53-2 Magnesium bromide hexahydrate molecular structure lightbox
CAS RN: 13446-53-2

Magnesium bromide hexahydrate

  • Product code: SSC-042245
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13446-53-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shanghai Inquiry

13446-53-2 / magnesium;dibromide;hexahydrate

Standard CAS: 13446-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13446-53-2
Multi CAS
No
Molecular Formula
Br2H12MgO6
Molecular Weight
292.210000
Exact Mass
291.883060
SMILES
O.O.O.O.O.O.[Mg+2].[Br-].[Br-]
InChI
InChI=1S/2BrH.Mg.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2
InChIKey
LGLXXNHIGIJYQQ-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
9
H-bond acceptors
8
H-bond donors
6
Molar refractivity
27.44
TPSA
189

LogP / Solubility

WLOGP
-11.32
MLOGP
-9.95
XLogP3
-11.32
Consensus LogP
-10.86
Log S (ESOL)
5.48
Class (ESOL)
Highly soluble
Log S (Ali)
6.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.84
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)
-12.54

Drug-likeness / Medicinal Chemistry

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

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