![CAS 163513-98-2 (1R,4S)-TERT-BUTYL 2-OXO-7-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/163513-98-2.gif)
CAS RN: 163513-98-2
(1R,4S)-TERT-BUTYL 2-OXO-7-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260312 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250818 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry | |
| Batchno.20260114 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251014 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250407 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-071029
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 |
163513-98-2 / tert-butyl (1R,4S)-2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate
Basic Information
CAS
163513-98-2
Multi CAS
No
Molecular Formula
C11H17NO3
Molecular Weight
211.260000
Exact Mass
211.120843
SMILES
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C(=O)C2
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-7-4-5-8(12)9(13)6-7/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKey
XWIJVOQGKJHEAJ-JGVFFNPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.51
TPSA
46.61
LogP / Solubility
WLOGP
1.73
MLOGP
1.52
XLogP3
1.3
Consensus LogP
1.52
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.78
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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![CAS 163513-99-3 tert-butyl (1S,4R)-2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/163513-99-3.gif)
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