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CAS 79992-76-0 Magnesium(II) 2-Ethylbutyrate molecular structure lightbox
CAS RN: 79992-76-0

Magnesium(II) 2-Ethylbutyrate

  • Product code: SSC-188980
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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: 10g
  • 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 79992-76-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

79992-76-0 / magnesium bis(2-ethylbutanoate)

Standard CAS: 79992-76-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79992-76-0
Multi CAS
Yes
Molecular Formula
C12H22MgO4
Molecular Weight
254.610000
Exact Mass
254.136851
InChI
InChI=1S/2C6H12O2.Mg/c2*1-3-5(4-2)6(7)8;/h2*5H,3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
InChIKey
JOADGALWHMAAKM-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
63.91
TPSA
80.26

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.02
XLogP3
-0.04
Consensus LogP
-0.03
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-4.3

Drug-likeness / Medicinal Chemistry

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

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