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CAS 14128-54-2 Lithium aluminum deuteride,LAD molecular structure lightbox
CAS RN: 14128-54-2

Lithium aluminum deuteride,LAD

  • Product code: starshine_CAS14128-54-2
  • Purity/Analytical Methods: >99.0%
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14128-54-2 / lithium tetradeuterioalumanuide

Standard CAS: 14128-54-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
14128-54-2
Multi CAS
No
Molecular Formula
AlH4Li
Molecular Weight
42.000000
Exact Mass
42.053949
SMILES
[2H][Al-]([2H])([2H])[2H].[Li+]
InChI
InChI=1S/Al.Li.4H/q-1;+1;;;;/i;;4*1+1
InChIKey
OCZDCIYGECBNKL-HGZFDWPVSA-N

Physical Properties

Physical Description
Grey powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
2
H-bond acceptors
1
Molar refractivity
11.33
TPSA
0.0000

LogP / Solubility

WLOGP
-4.45
MLOGP
-3.93
XLogP3
-4.45
Consensus LogP
-4.28
Log S (ESOL)
2.73
Class (ESOL)
Highly soluble
Log S (Ali)
3.34
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.78
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)
-6.11

Drug-likeness / Medicinal Chemistry

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

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