![CAS 897396-10-0 9-Benzyl-3,9-diaza-bicyclo[4.2.1]nonan-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/897396-10-0.gif)
CAS RN: 897396-10-0
9-Benzyl-3,9-diaza-bicyclo[4.2.1]nonan-4-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.20251020 | 50mg / 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS897396-10-0
- Purity/Analytical Methods: >99.0%
897396-10-0 / 9-benzyl-3,9-diazabicyclo[4.2.1]nonan-4-one
Basic Information
CAS
897396-10-0
Multi CAS
Yes
Molecular Formula
C14H18N2O
Molecular Weight
230.310000
Exact Mass
230.141913
InChI
InChI=1S/C14H18N2O/c17-14-8-12-6-7-13(9-15-14)16(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,17)
InChIKey
IZTSYUBBKNSBJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.42
TPSA
32.34
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
1.4
Consensus LogP
1.43
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.03
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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