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CAS 12031-75-3 Lithium manganese nickel oxide molecular structure lightbox
CAS RN: 12031-75-3

Lithium manganese nickel oxide

  • Product code: SSC-021175
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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: 25g
  • Available purity: ＞95%
  • 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 12031-75-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Shanghai Inquiry

12031-75-3 / dilithium;bis(manganese(2+));bis(nickel(2+));pentakis(oxygen(2-))

LITHIUM MANGANESE NICKEL OXIDE | Dilithium;manganese(2+);nickel(2+);oxygen(2-) | Lithium manganese nickel oxide (Li2Mn3NiO8)

Standard CAS: 12031-75-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
12031-75-3
Multi CAS
Yes
Molecular Formula
Li2Mn2Ni2O5
Molecular Weight
321.200000
Exact Mass
319.753349
SMILES
[Li+].[Li+].[O-2].[O-2].[O-2].[O-2].[O-2].[Mn+2].[Mn+2].[Ni+2].[Ni+2]
InChI
InChI=1S/2Li.2Mn.2Ni.5O/q2*+1;4*+2;5*-2
InChIKey
SSPZCSWCMSTDHK-UHFFFAOYSA-N
Synonyms
LITHIUM MANGANESE NICKEL OXIDE Dilithium;manganese(2+);nickel(2+);oxygen(2-) Lithium manganese nickel oxide (Li2Mn3NiO8) Li2Mn2Ni2O5 SCHEMBL358152

Computed Properties

Structural Parameters

Heavy atom count
11
H-bond acceptors
5
Molar refractivity
3.43
TPSA
142.5

LogP / Solubility

WLOGP
-6.6
MLOGP
-5.79
XLogP3
-6.6
Consensus LogP
-6.33
Log S (ESOL)
2.32
Class (ESOL)
Highly soluble
Log S (Ali)
2.57
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.73
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)
-9.36

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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