![CAS 1228676-24-1 tert-butyl (1S,5S,8S)-rel-8-hydroxy-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228676-24-1.gif)
CAS RN: 1228676-24-1
tert-butyl (1S,5S,8S)-rel-8-hydroxy-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
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.20250521 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-026509
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1228676-24-1 / tert-butyl (1R,5R)-8-hydroxy-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
Basic Information
CAS
1228676-24-1
Multi CAS
No
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)C2O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-4-7-6-15-8(5-12)9(7)13/h7-9,13H,4-6H2,1-3H3/t7-,8-,9?/m1/s1
InChIKey
UGUKOAKUOOGHRT-ZAZKALAHSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.04
TPSA
59
LogP / Solubility
WLOGP
0.61
MLOGP
0.54
XLogP3
0.2
Consensus LogP
0.45
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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