![CAS 1822531-69-0 1-[(TERT-BUTOXY)CARBONYL]-3-HYDROXYAZETIDINE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1822531-69-0.gif)
CAS RN: 1822531-69-0
1-[(TERT-BUTOXY)CARBONYL]-3-HYDROXYAZETIDINE-2-CARBOXYLIC 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.20260611 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-083294
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 | Shanghai | Inquiry |
1822531-69-0 / 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
Basic Information
CAS
1822531-69-0
Multi CAS
No
Molecular Formula
C9H15NO5
Molecular Weight
217.220000
Exact Mass
217.095023
SMILES
CC(C)(C)OC(=O)N1CC(C1C(=O)O)O
InChI
InChI=1S/C9H15NO5/c1-9(2,3)15-8(14)10-4-5(11)6(10)7(12)13/h5-6,11H,4H2,1-3H3,(H,12,13)
InChIKey
DZQJIHHAEOZFPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.37
TPSA
87.07
LogP / Solubility
WLOGP
0.05
MLOGP
0.05
XLogP3
0.4
Consensus LogP
0.17
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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