![CAS 1034912-28-1 (1R,4S)-tert-butyl 2-azabicyclo[2.2.1]heptane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1034912-28-1.gif)
CAS RN: 1034912-28-1
(1R,4S)-tert-butyl 2-azabicyclo[2.2.1]heptane-2-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.20251226 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-005047
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 | Hong Kong | Inquiry |
1034912-28-1 / tert-butyl (1R,4S)-2-azabicyclo[2.2.1]heptane-2-carboxylate
(1R,4S)-tert-Butyl 2-azabicyclo[2.2.1]heptane-2-carboxylate | tert-Butyl (1R,4S)-2-azabicyclo[2.2.1]heptane-2-carboxylate | MFCD13152026
Basic Information
CAS
1034912-28-1
Multi CAS
Yes
Molecular Formula
C11H19NO2
Molecular Weight
197.270000
Exact Mass
197.141579
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1C2
InChI
InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-7-8-4-5-9(12)6-8/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKey
AJYDSJWVRJUFMI-DTWKUNHWSA-N
Synonyms
(1R,4S)-tert-Butyl 2-azabicyclo[2.2.1]heptane-2-carboxylate
tert-Butyl (1R,4S)-2-azabicyclo[2.2.1]heptane-2-carboxylate
MFCD13152026
SCHEMBL12842007
DTXSID20693857
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.07
TPSA
29.54
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.1
Consensus LogP
2.21
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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