![CAS 143393-96-8 3,8-Diazabicyclo[3.2.1]octan-2-one,(1S)-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/143393-96-8.gif)
CAS RN: 143393-96-8
3,8-Diazabicyclo[3.2.1]octan-2-one,(1S)-(9CI)
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.20250321 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS143393-96-8
- Purity/Analytical Methods: >99.0%
143393-96-8 / (1S)-3,8-diazabicyclo[3.2.1]octan-2-one
Basic Information
CAS
143393-96-8
Multi CAS
No
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
SMILES
C1CC2CNC(=O)[C@H]1N2
InChI
InChI=1S/C6H10N2O/c9-6-5-2-1-4(8-5)3-7-6/h4-5,8H,1-3H2,(H,7,9)
InChIKey
GTHHTBKYROANEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.96
TPSA
41.13
LogP / Solubility
WLOGP
-0.76
MLOGP
-0.68
XLogP3
-0.5
Consensus LogP
-0.65
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-0.04
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.15
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 143413-85-8 2-([1-(3-[[3-(DIMETHYL(3-[4-[(E)-(3-METHYL-1,3-BENZOXAZOL-3-IUM-2-YL)METHYLIDENE]-1(4H)-QUINOLINYL]PROPYL)AMMONIO)PROPYL](DIMETHYL)AMMONIO]PROPYL)-4(1H)-QUINOLINYLIDENE]METHYL)-3-METHYL-1,3-BENZOXAZOL-3-IUM TETRAIODIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/143413-85-8.gif)
