CAS RN: 426-65-3
Ethyl Pentafluoropropionate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250712 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250718 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250528 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260307 | 500g | Out of stock | Inquiry | |
| Batchno.20260601 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTP1123
- Purity/Analytical Methods: >98.0%(GC)
426-65-3 / ethyl 2,2,3,3,3-pentafluoropropanoate
Basic Information
CAS
426-65-3
Multi CAS
Yes
Molecular Formula
C5F5H5O2
Molecular Weight
192.080000
Exact Mass
192.020970
InChI
InChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3
InChIKey
DBOFMRQAMAZKQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
27.63
TPSA
26.3
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
2.1
Consensus LogP
1.8
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately 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)
-2.65
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
1.5
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- CAS RN: 4522-93-4
- Product Code: ICTP1419
- Purity/Analytical method: >98.0%(GC)
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