CAS RN: 36554-89-9
ALUMINIUM TRIFLUOROACETATE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250425 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS36554-89-9
- Purity/Analytical Methods: >99.0%
36554-89-9 / bis[(2,2,2-trifluoroacetyl)oxy]alumanyl 2,2,2-trifluoroacetate
Basic Information
CAS
36554-89-9
Multi CAS
Yes
Molecular Formula
AlC6F9O6
Molecular Weight
366.030000
Exact Mass
365.936655
InChI
InChI=1S/3C2HF3O2.Al/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3
InChIKey
FJYDXYVSFFWRER-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
42.2
TPSA
78.9
LogP / Solubility
WLOGP
1.29
MLOGP
1.15
XLogP3
1.29
Consensus LogP
1.24
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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