![CAS 467454-33-7 tert-Butyl 2-azabicyclo[2.1.1]hexane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/467454-33-7.gif)
CAS RN: 467454-33-7
tert-Butyl 2-azabicyclo[2.1.1]hexane-2-carboxylate
- Product code: SSC-153987
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 1g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
467454-33-7 / tert-butyl 2-azabicyclo[2.1.1]hexane-2-carboxylate
Basic Information
CAS
467454-33-7
Multi CAS
No
Molecular Formula
C10H17NO2
Molecular Weight
183.250000
Exact Mass
183.125929
InChI
InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-6-7-4-8(11)5-7/h7-8H,4-6H2,1-3H3
InChIKey
XPVHUBNFWUIHDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
49.45
TPSA
29.54
LogP / Solubility
WLOGP
2.02
MLOGP
1.77
XLogP3
1.7
Consensus LogP
1.83
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 467454-51-9 tert-butyl 1-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/467454-51-9.gif)
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