![CAS 1158749-97-3 1,9-Diazaspiro[5.5]undecan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1158749-97-3.gif)
CAS RN: 1158749-97-3
1,9-Diazaspiro[5.5]undecan-2-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.20260522 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1158749-97-3
- Purity/Analytical Methods: >99.0%
1158749-97-3 / 1,9-diazaspiro[5.5]undecan-2-one
1,9-DIAZASPIRO[5.5]UNDECAN-2-ONE | MFCD12406519 | 1,9-Diaza-spiro[5.5]undecan-2-one
Basic Information
CAS
1158749-97-3
Multi CAS
No
Molecular Formula
C9H16N2O
Molecular Weight
168.240000
Exact Mass
168.126263
SMILES
C1CC(=O)NC2(C1)CCNCC2
InChI
InChI=1S/C9H16N2O/c12-8-2-1-3-9(11-8)4-6-10-7-5-9/h10H,1-7H2,(H,11,12)
InChIKey
ROVQEFKRZNILIZ-UHFFFAOYSA-N
Synonyms
1,9-DIAZASPIRO[5.5]UNDECAN-2-ONE
MFCD12406519
1,9-Diaza-spiro[5.5]undecan-2-one
CS-WAA0045
SCHEMBL2048532
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.83
TPSA
41.13
LogP / Solubility
WLOGP
0.41
MLOGP
0.36
XLogP3
-0.1
Consensus LogP
0.22
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
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)
-3.46
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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