![CAS 1781968-79-3 2-{1-[(tert-butoxy)carbonyl]azetidin-2-yl}acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1781968-79-3.gif)
CAS RN: 1781968-79-3
2-{1-[(tert-butoxy)carbonyl]azetidin-2-yl}acetic acid
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.20250413 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-078538
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, 5g
- Available purity: >97%
- Inventory rows with stock: 2
- 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.
1781968-79-3 / 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]acetic acid
Basic Information
CAS
1781968-79-3
Multi CAS
No
Molecular Formula
C10H17NO4
Molecular Weight
215.250000
Exact Mass
215.115758
SMILES
CC(C)(C)OC(=O)N1CCC1CC(=O)O
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(11)6-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
TXLPFPLPMZEOQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.6
TPSA
66.84
LogP / Solubility
WLOGP
1.47
MLOGP
1.3
XLogP3
0.8
Consensus LogP
1.19
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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