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: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
23586-53-0 / thallium(3+);tris(2,2,2-trifluoroacetate)
Basic Information
CAS
23586-53-0
Multi CAS
No
Molecular Formula
C6F9O6Tl
Molecular Weight
543.430000
Exact Mass
543.929540
SMILES
C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Tl+3]
InChI
InChI=1S/3C2HF3O2.Tl/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3
InChIKey
PSHNNUKOUQCMSG-UHFFFAOYSA-K
Physical Properties
Physical Description
Solid hygroscopic mass; Decomposed by water
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.5
H-bond acceptors
6
Molar refractivity
38.94
TPSA
120.39
LogP / Solubility
WLOGP
-2.49
MLOGP
-2.15
XLogP3
-2.49
Consensus LogP
-2.38
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
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)
-7.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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