CAS RN: 1788041-57-5
tert-butyl 3-cyano-3-fluoroazetidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250115 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-079585
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
- Available purity: >97%
- Inventory rows with stock: 3
- 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.
1788041-57-5 / tert-butyl 3-cyano-3-fluoroazetidine-1-carboxylate
Basic Information
CAS
1788041-57-5
Multi CAS
No
Molecular Formula
C9H13FN2O2
Molecular Weight
200.210000
Exact Mass
200.096106
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#N)F
InChI
InChI=1S/C9H13FN2O2/c1-8(2,3)14-7(13)12-5-9(10,4-11)6-12/h5-6H2,1-3H3
InChIKey
VLCFNAIYELAULW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.26
TPSA
53.33
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
0.9
Consensus LogP
1.22
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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