![CAS 1394306-54-7 5-Methyl-5,7-diazaspiro[2.5]octan-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52691104(2).gif)
CAS RN: 1394306-54-7
5-Methyl-5,7-diazaspiro[2.5]octan-6-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.20251206 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1394306-54-7
- Purity/Analytical Methods: >99.0%
1394306-54-7 / 7-methyl-5,7-diazaspiro[2.5]octan-6-one
Basic Information
CAS
1394306-54-7
Multi CAS
No
Molecular Formula
C7H12N2O
Molecular Weight
140.180000
Exact Mass
140.094963
SMILES
CN1CC2(CC2)CNC1=O
InChI
InChI=1S/C7H12N2O/c1-9-5-7(2-3-7)4-8-6(9)10/h2-5H2,1H3,(H,8,10)
InChIKey
WWBNTINDTBIBQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.7
TPSA
32.34
LogP / Solubility
WLOGP
0.42
MLOGP
0.36
XLogP3
-0.1
Consensus LogP
0.23
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.92
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)
-3.28
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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