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: 0.1g, 1g, 0.25g, 5g
- Available purity: >95%
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 5 In Stock | Beijing | Inquiry |
| 1g | -- | 4 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 2 In Stock | Shanghai | Inquiry |
| 5g | -- | 2 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 2 In Stock | Shanghai | Inquiry |
55601-21-3 / 2,2-difluoro-2-phenylethanamine
Basic Information
CAS
55601-21-3
Multi CAS
Yes
Molecular Formula
C8F2H9N
Molecular Weight
157.160000
Exact Mass
157.070306
InChI
InChI=1S/C8H9F2N/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5H,6,11H2
InChIKey
FZUZAXBAUSXGAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.39
TPSA
26.02
LogP / Solubility
WLOGP
1.74
MLOGP
1.52
XLogP3
1.6
Consensus LogP
1.62
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.45
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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