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CAS 12031-95-7 Lithium Titanate (Spinel) molecular structure lightbox
CAS RN: 12031-95-7

Lithium Titanate (Spinel)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250323 100g In stock Inquiry
Batchno.20260401 25g In stock Inquiry
Batchno.20250625 500g In stock Inquiry
  • Product code: SSC-021176
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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 12031-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Beijing Inquiry

12031-95-7 / tetralithium;tetrakis(hydroxy-oxido-oxotitanium);titanium

Lithium titanate, spinel | Lithium Titanate (Spinel) | Lithium titanium oxide (Li4Ti5O12)

Standard CAS: 12031-95-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
12031-95-7
Multi CAS
Yes
Molecular Formula
H4Li4O12Ti5
Molecular Weight
463.200000
Exact Mass
463.773993
SMILES
[Li+].[Li+].[Li+].[Li+].O[Ti](=O)[O-].O[Ti](=O)[O-].O[Ti](=O)[O-].O[Ti](=O)[O-].[Ti]
InChI
InChI=1S/4Li.4H2O.8O.5Ti/h;;;;4*1H2;;;;;;;;;;;;;/q4*+1;;;;;;;;;4*-1;;4*+1/p-4
InChIKey
HLOGOFPFOSOXAS-UHFFFAOYSA-J
Synonyms
Lithium titanate, spinel Lithium Titanate (Spinel) Lithium titanium oxide (Li4Ti5O12) lithium titanate spinel oxide L0380

Computed Properties

Structural Parameters

Heavy atom count
21
H-bond acceptors
8
H-bond donors
4
Molar refractivity
11.62
TPSA
241.44

LogP / Solubility

WLOGP
-19.46
MLOGP
-17.09
XLogP3
-19.46
Consensus LogP
-18.67
Log S (ESOL)
9.55
Class (ESOL)
Highly soluble
Log S (Ali)
10.69
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
13.48
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-19.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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