![CAS 1228552-71-3 9-Methyl-2,9-diazaspiro[5.5]undecan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22555054.gif)
CAS RN: 1228552-71-3
9-Methyl-2,9-diazaspiro[5.5]undecan-1-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.20251112 | 500mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1228552-71-3
- Purity/Analytical Methods: >99.0%
1228552-71-3 / 9-methyl-2,9-diazaspiro[5.5]undecan-1-one
Basic Information
CAS
1228552-71-3
Multi CAS
No
Molecular Formula
C10H18N2O
Molecular Weight
182.260000
Exact Mass
182.141913
SMILES
CN1CCC2(CCCNC2=O)CC1
InChI
InChI=1S/C10H18N2O/c1-12-7-4-10(5-8-12)3-2-6-11-9(10)13/h2-8H2,1H3,(H,11,13)
InChIKey
TUTQURBVZPSVFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.41
TPSA
32.34
LogP / Solubility
WLOGP
0.61
MLOGP
0.53
XLogP3
0.3
Consensus LogP
0.48
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-3.4
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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