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, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 7
- 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 | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Beijing | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | >98% | 5 In Stock | Beijing | Inquiry |
| 100g | >98% | 5 In Stock | Beijing | Inquiry |
| 100g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | >98% | 0 Out of Stock | Shanghai | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
433-53-4 / methyl 2,2-difluoroacetate
Basic Information
CAS
433-53-4
Multi CAS
Yes
Molecular Formula
C3F2H4O2
Molecular Weight
110.060000
Exact Mass
110.017936
InChI
InChI=1S/C3H4F2O2/c1-7-3(6)2(4)5/h2H,1H3
InChIKey
CSSYKHYGURSRAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
18.02
TPSA
26.3
LogP / Solubility
WLOGP
0.42
MLOGP
0.36
XLogP3
1
Consensus LogP
0.59
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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