![CAS 198835-02-8 exo-6-Hydroxy-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/198835-02-8.gif)
CAS RN: 198835-02-8
exo-6-Hydroxy-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
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.20260101 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-093655
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: 1g, 5g, 0.25g, 0.1g, 10g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
198835-02-8 / tert-butyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
Basic Information
CAS
198835-02-8
Multi CAS
No
Molecular Formula
C11H19NO3
Molecular Weight
213.270000
Exact Mass
213.136493
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1[C@@H](C2)O
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)9(13)5-7/h7-9,13H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
InChIKey
PABFVGKPNHVSCG-DJLDLDEBSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.46
TPSA
49.77
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1.1
Consensus LogP
1.23
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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