![CAS 1311254-49-5 9-Hydroxy-5-Methyl-6.7-diaza-spiro[3,5]non-5-en-8-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12652707.gif)
CAS RN: 1311254-49-5
9-Hydroxy-5-Methyl-6.7-diaza-spiro[3,5]non-5-en-8-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.20251025 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1311254-49-5
- Purity/Analytical Methods: >99.0%
1311254-49-5 / 9-hydroxy-5-methyl-6,7-diazaspiro[3.5]non-5-en-8-one
Basic Information
CAS
1311254-49-5
Multi CAS
No
Molecular Formula
C8H12N2O2
Molecular Weight
168.190000
Exact Mass
168.089878
SMILES
CC1=NNC(=O)C(C12CCC2)O
InChI
InChI=1S/C8H12N2O2/c1-5-8(3-2-4-8)6(11)7(12)10-9-5/h6,11H,2-4H2,1H3,(H,10,12)
InChIKey
BHXBHAMENVSCFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.54
TPSA
61.69
LogP / Solubility
WLOGP
0.02
MLOGP
0.02
XLogP3
-0.4
Consensus LogP
-0.12
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very 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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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