CAS RN: 371-26-6
Ethyl 4,4,4-Trifluorobutyrate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-144421
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: 10g, 5g, 25g, 1g, 100g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 10g | -- | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 4 In Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 4 In Stock | Beijing | Inquiry |
| 25g | -- | 2 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 100g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | -- | 0 Out of Stock | Shenzhen | Inquiry |
371-26-6 / ethyl 4,4,4-trifluorobutanoate
Basic Information
CAS
371-26-6
Multi CAS
No
Molecular Formula
C6F3H9O2
Molecular Weight
170.130000
Exact Mass
170.055464
InChI
InChI=1S/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3
InChIKey
PSRZMXNNQTWAGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
31.92
TPSA
26.3
LogP / Solubility
WLOGP
1.89
MLOGP
1.66
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
