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CAS 12031-63-9 Lithium Niobate (99.99%, trace metals basis) molecular structure lightbox
CAS RN: 12031-63-9

Lithium Niobate (99.99%, trace metals basis)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251102 100g In stock Shenzhen, Wuhan Inquiry
Batchno.20260530 25g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250808 5g In stock Shenzhen Inquiry
  • Product code: ICTL0376
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12031-63-9 / lithium;niobium(5+);tris(oxygen(2-))

Niobate, lithium | Lithium methaniobate | Lithium niobate(V)

Standard CAS: 12031-63-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
12031-63-9
Multi CAS
Yes
Molecular Formula
LiNbO3
Molecular Weight
147.900000
Exact Mass
147.907120
SMILES
[Li+].[O-2].[O-2].[O-2].[Nb+5]
InChI
InChI=1S/Li.Nb.3O/q+1;+5;3*-2
InChIKey
PSVBHJWAIYBPRO-UHFFFAOYSA-N
Synonyms
Niobate, lithium Lithium methaniobate Lithium niobate(V) Niobium lithium oxide Lithium niobium oxide (LiNbO3)

Physical Properties

Physical Description
Off-white odorless crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
3
Molar refractivity
2.06
TPSA
85.5

LogP / Solubility

WLOGP
-3.35
MLOGP
-2.96
XLogP3
-3.35
Consensus LogP
-3.22
Log S (ESOL)
1.36
Class (ESOL)
Highly soluble
Log S (Ali)
1.65
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.16
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

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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