CAS RN: 406-94-0
4,4,4-TRIFLUOROCROTONATE ACID
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-148868
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, 0.25g, 500g
- Available purity: >95%
- Inventory rows with stock: 12
- 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 | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | >95% | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 100g | -- | 5 In Stock | Shenzhen | Inquiry |
| 100g | >95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 500g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | >95% | 0 Out of Stock | Beijing | Inquiry |
406-94-0 / 4,4,4-trifluorobut-2-enoic acid
Basic Information
CAS
406-94-0
Multi CAS
Yes
Molecular Formula
C4F3H3O2
Molecular Weight
140.060000
Exact Mass
140.008514
InChI
InChI=1S/C4H3F3O2/c5-4(6,7)2-1-3(8)9/h1-2H,(H,8,9)
InChIKey
QZBAYURFHCTXOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
22.83
TPSA
37.3
LogP / Solubility
WLOGP
1.19
MLOGP
1.04
XLogP3
1.1
Consensus LogP
1.11
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-2.73
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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2,2,2-TRIFLUOROETHYL DIMETHYLCARBAMATE
- CAS RN: 407-43-2
- Product Code: starshine_CAS407-43-2
- Purity/Analytical method: >99.0%
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