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, 0.25g, 0.1g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 6
- 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 | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 4 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 3 In Stock | Shanghai | Inquiry |
| 10g | >95% | 3 In Stock | Beijing | Inquiry |
| 25g | >95% | 3 In Stock | Shenzhen | Inquiry |
471-44-3 / 2-chloro-2-fluoroacetic acid
Basic Information
CAS
471-44-3
Multi CAS
Yes
Molecular Formula
C2H2CLFO2
Molecular Weight
112.490000
Exact Mass
111.972735
InChI
InChI=1S/C2H2ClFO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey
JBIKZDFUXGHTHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
18.38
TPSA
37.3
LogP / Solubility
WLOGP
0.61
MLOGP
0.52
XLogP3
0.9
Consensus LogP
0.68
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.01
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)
-2.98
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
2
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