CAS RN: 1254120-12-1
1-Azetidinecarboxylic acid, 3-amino-3-cyano-, 1,1-dimethylethyl ester
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.20250114 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-030155
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 | Hong Kong | Inquiry |
1254120-12-1 / tert-butyl 3-amino-3-cyanoazetidine-1-carboxylate
Basic Information
CAS
1254120-12-1
Multi CAS
No
Molecular Formula
C9H15N3O2
Molecular Weight
197.230000
Exact Mass
197.116427
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#N)N
InChI
InChI=1S/C9H15N3O2/c1-8(2,3)14-7(13)12-5-9(11,4-10)6-12/h5-6,11H2,1-3H3
InChIKey
BTLBBSVDHIWMDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.34
TPSA
79.35
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
-0.4
Consensus LogP
0.15
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6
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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