![CAS 1221791-84-9 8-Amino-6,7-diazaspiro[3.4]oct-7-en-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62556529.gif)
CAS RN: 1221791-84-9
8-Amino-6,7-diazaspiro[3.4]oct-7-en-5-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.20250124 | 500mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1221791-84-9
- Purity/Analytical Methods: >99.0%
1221791-84-9 / 5-amino-6,7-diazaspiro[3.4]oct-5-en-8-one
Basic Information
CAS
1221791-84-9
Multi CAS
No
Molecular Formula
C6H9N3O
Molecular Weight
139.160000
Exact Mass
139.074562
SMILES
C1CC2(C1)C(=NNC2=O)N
InChI
InChI=1S/C6H9N3O/c7-4-6(2-1-3-6)5(10)9-8-4/h1-3H2,(H2,7,8)(H,9,10)
InChIKey
XYLDQKUMKZCVCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.05
TPSA
67.48
LogP / Solubility
WLOGP
-0.44
MLOGP
-0.4
XLogP3
-0.5
Consensus LogP
-0.45
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
Class (SILICOS-IT)
Very 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)
-3.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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