CAS RN: 1443983-86-5
2-(3-(fluoromethyl)azetidin-1-yl)ethan-1-ol
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: SSC-055630
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1443983-86-5 / 2-[3-(fluoromethyl)azetidin-1-yl]ethanol
Basic Information
CAS
1443983-86-5
Multi CAS
No
Molecular Formula
C6H12FNO
Molecular Weight
133.160000
Exact Mass
133.090292
SMILES
C1C(CN1CCO)CF
InChI
InChI=1S/C6H12FNO/c7-3-6-4-8(5-6)1-2-9/h6,9H,1-5H2
InChIKey
OWUTXBIONAXKAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.99
TPSA
23.47
LogP / Solubility
WLOGP
-0.12
MLOGP
-0.11
Consensus LogP
-0.08
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
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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