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, 0.25g, 1g, 5g
- Available purity: >97%
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Beijing | Inquiry |
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 0 Out of Stock | Beijing | Inquiry |
| 5g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
2288709-22-6 / 2-fluorocyclobutan-1-amine;hydrochloride
Basic Information
CAS
2288709-22-6
Multi CAS
No
Molecular Formula
C4H9ClFN
Molecular Weight
125.570000
Exact Mass
125.040755
SMILES
C1CC(C1N)F.Cl
InChI
InChI=1S/C4H8FN.ClH/c5-3-1-2-4(3)6;/h3-4H,1-2,6H2;1H
InChIKey
GQAHXCYFXSZFDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.35
TPSA
26.02
LogP / Solubility
WLOGP
0.87
MLOGP
0.75
XLogP3
0.87
Consensus LogP
0.83
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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