CAS RN: 1353953-76-0
1-Acetyl-3-azetidinecarboxylic acid Methyl 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.20260608 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-043679
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: 1g, 0.1g, 0.25g
- 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.
1353953-76-0 / methyl 1-acetylazetidine-3-carboxylate
Basic Information
CAS
1353953-76-0
Multi CAS
No
Molecular Formula
C7H11NO3
Molecular Weight
157.170000
Exact Mass
157.073893
SMILES
CC(=O)N1CC(C1)C(=O)OC
InChI
InChI=1S/C7H11NO3/c1-5(9)8-3-6(4-8)7(10)11-2/h6H,3-4H2,1-2H3
InChIKey
HZHPHZDQKWKVGY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.76
TPSA
46.61
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.32
XLogP3
-0.6
Consensus LogP
-0.43
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-3.94
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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![CAS 1353954-53-6 [1-(6-Ethoxy-pyriMidin-4-yl)-piperidin-3-yl]-carbaMic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82577430(1).gif)
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