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CAS 346417-97-8 Lithium Nickel Manganese Cobalt Oxide (LiNi0.33Mn0.33Co0.33O2) molecular structure lightbox
CAS RN: 346417-97-8

Lithium Nickel Manganese Cobalt Oxide (LiNi0.33Mn0.33Co0.33O2)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250313 1g In stock Shanghai Inquiry
  • Product code: ICTL0388
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346417-97-8 / lithium;cobalt;manganese;oxonickel

Standard CAS: 346417-97-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
346417-97-8
Multi CAS
Yes
Molecular Formula
CILiMnNO2
Molecular Weight
195.500000
Exact Mass
194.817496
InChI
InChI=1S/Co.Li.Mn.Ni.O/q;+1;;;
InChIKey
JITOJRMKSODIMK-UHFFFAOYSA-N

Physical Properties

Physical Description
Other Solid; Dry Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
1
Molar refractivity
0.69
TPSA
17.07

LogP / Solubility

WLOGP
-3.12
MLOGP
-2.75
XLogP3
-3.12
Consensus LogP
-3
Log S (ESOL)
0.91
Class (ESOL)
Highly soluble
Log S (Ali)
1.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.66
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)
-6.13

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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