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: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 3
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 1 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
406-93-9 / 2,2,2-trifluoroethyl acetate
Basic Information
CAS
406-93-9
Multi CAS
Yes
Molecular Formula
C4F3H5O2
Molecular Weight
142.080000
Exact Mass
142.024164
InChI
InChI=1S/C4H5F3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3
InChIKey
ZOWSJJBOQDKOHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
22.69
TPSA
26.3
LogP / Solubility
WLOGP
1.11
MLOGP
0.97
XLogP3
1.2
Consensus LogP
1.09
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
