![CAS 83507-33-9 3-BENZYL-3-AZABICYCLO[3.2.1]OCTAN-8-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83507-33-9.gif)
CAS RN: 83507-33-9
3-BENZYL-3-AZABICYCLO[3.2.1]OCTAN-8-ONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260110 | 5g / 10g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-191314
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, 10g, 100g, 500g, 25g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 5 In Stock | Shanghai | Inquiry |
| 500g | >97% | 5 In Stock | Beijing | Inquiry |
| 25g | >97% | 3 In Stock | Beijing | Inquiry |
83507-33-9 / (1R,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-one
Basic Information
CAS
83507-33-9
Multi CAS
Yes
Molecular Formula
C14H17NO
Molecular Weight
215.290000
Exact Mass
215.131014
InChI
InChI=1S/C14H17NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKey
DCDAOVIVXGHHHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
62.94
TPSA
20.31
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
1.8
Consensus LogP
1.92
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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