![CAS 2102412-08-6 tert-butyl 9-azabicyclo[3.3.1]non-2-ene-9-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2102412-08-6.png)
CAS RN: 2102412-08-6
tert-butyl 9-azabicyclo[3.3.1]non-2-ene-9-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.20260513 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-100043
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 | Beijing | Inquiry |
2102412-08-6 / tert-butyl 9-azabicyclo[3.3.1]non-2-ene-9-carboxylate
Basic Information
CAS
2102412-08-6
Multi CAS
No
Molecular Formula
C13H21NO2
Molecular Weight
223.310000
Exact Mass
223.157229
SMILES
CC(C)(C)OC(=O)N1C2CCCC1C=CC2
InChI
InChI=1S/C13H21NO2/c1-13(2,3)16-12(15)14-10-6-4-7-11(14)9-5-8-10/h4,6,10-11H,5,7-9H2,1-3H3
InChIKey
ACCNFDOYJVWSBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
63.26
TPSA
29.54
LogP / Solubility
WLOGP
3.1
MLOGP
2.73
XLogP3
2.7
Consensus LogP
2.84
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly 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)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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