CAS RN: 2045189-46-4
2-(3,3-difluoroazetidin-1-yl)ethan-1-amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251208 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-096330
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2045189-46-4 / 2-(3,3-difluoroazetidin-1-yl)ethanamine
Basic Information
CAS
2045189-46-4
Multi CAS
No
Molecular Formula
C5H10F2N2
Molecular Weight
136.140000
Exact Mass
136.081205
SMILES
C1C(CN1CCN)(F)F
InChI
InChI=1S/C5H10F2N2/c6-5(7)3-9(4-5)2-1-8/h1-4,8H2
InChIKey
LNUROOUMAJXKDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.44
TPSA
29.26
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.1
XLogP3
-0.2
Consensus LogP
-0.13
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
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)
-3.62
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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