![CAS 86580-33-8 8-benzyl-8-azabicyclo[3.2.1]octan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86580-33-8.gif)
CAS RN: 86580-33-8
8-benzyl-8-azabicyclo[3.2.1]octan-2-one
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.20250904 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS86580-33-8
- Purity/Analytical Methods: >99.0%
86580-33-8 / 8-benzyl-8-azabicyclo[3.2.1]octan-2-one
Basic Information
CAS
86580-33-8
Multi CAS
No
Molecular Formula
C14H17NO
Molecular Weight
215.290000
Exact Mass
215.131014
InChI
InChI=1S/C14H17NO/c16-14-9-7-12-6-8-13(14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKey
GWVYHAOGBUOWIL-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
63.04
TPSA
20.31
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
2.3
Consensus LogP
2.26
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.34
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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