![CAS 1408075-58-0 Methyl exo-8-azabicyclo[3.2.1]octan-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1408075-58-0.gif)
CAS RN: 1408075-58-0
Methyl exo-8-azabicyclo[3.2.1]octan-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.20251205 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-051343
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 |
1408075-58-0 / methyl (1R,2S,5R)-8-azabicyclo[3.2.1]octane-2-carboxylate
Basic Information
CAS
1408075-58-0
Multi CAS
No
Molecular Formula
C9H15NO2
Molecular Weight
169.220000
Exact Mass
169.110279
SMILES
COC(=O)[C@H]1CC[C@@H]2CC[C@H]1N2
InChI
InChI=1S/C9H15NO2/c1-12-9(11)7-4-2-6-3-5-8(7)10-6/h6-8,10H,2-5H2,1H3
InChIKey
YQYACLARXDGFPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.69
TPSA
38.33
LogP / Solubility
WLOGP
0.69
MLOGP
0.6
XLogP3
0.8
Consensus LogP
0.7
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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