CAS RN: 433-27-2
Trifluoroacetaldehyde Ethyl Hemiacetal (contains ca. 10% Ethanol)
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251123 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250818 | 1g | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batchno.20251215 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260624 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: ICTT0791
- Purity/Analytical Methods: >80.0%(GC)
433-27-2 / 1-ethoxy-2,2,2-trifluoroethanol
Basic Information
CAS
433-27-2
Multi CAS
Yes
Molecular Formula
C4F3H7O2
Molecular Weight
144.090000
Exact Mass
144.039814
InChI
InChI=1S/C4H7F3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3
InChIKey
KLXJPQNHFFMLIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
23.69
TPSA
29.46
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
1
Consensus LogP
0.9
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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