CAS RN: 571-55-1
Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251007 | 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-165190
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 25g, 100g
- Available purity: ≥96%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | -- | 2 In Stock | Shenzhen | Inquiry |
| 5g | ≥96% | 2 In Stock | Shenzhen | Inquiry |
| 10g | -- | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥96% | 2 In Stock | Beijing | Inquiry |
| 25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | ≥96% | 0 Out of Stock | Beijing | Inquiry |
| 100g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | ≥96% | 0 Out of Stock | Shenzhen | Inquiry |
571-55-1 / ethyl (2Z)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate
Basic Information
CAS
571-55-1
Multi CAS
Yes
Molecular Formula
C9F3H11O4
Molecular Weight
240.180000
Exact Mass
240.060943
InChI
InChI=1S/C9H11F3O4/c1-3-15-5-6(8(14)16-4-2)7(13)9(10,11)12/h5H,3-4H2,1-2H3/b6-5-
InChIKey
XNGGOXOLHQANRB-WAYWQWQTSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
47.4
TPSA
52.6
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
2.1
Consensus LogP
1.7
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
