![CAS 454695-20-6 tert-Butyl 9-oxo-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/454695-20-6.gif)
CAS RN: 454695-20-6
tert-Butyl 9-oxo-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260206 | 100mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-153195
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
454695-20-6 / tert-butyl 9-oxo-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
Basic Information
CAS
454695-20-6
Multi CAS
Yes
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(15)13-4-8-6-16-7-9(5-13)10(8)14/h8-9H,4-7H2,1-3H3
InChIKey
OXYRVQNWGGZUFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.61
TPSA
55.84
LogP / Solubility
WLOGP
1.07
MLOGP
0.95
XLogP3
0.3
Consensus LogP
0.77
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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