![CAS 86047-86-1 1,4-diazaspiro[5.5]undecan-5-one(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86047-86-1.gif)
CAS RN: 86047-86-1
1,4-diazaspiro[5.5]undecan-5-one(SALTDATA: FREE)
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.20250914 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS86047-86-1
- Purity/Analytical Methods: >99.0%
86047-86-1 / 1,4-diazaspiro[5.5]undecan-5-one
Basic Information
CAS
86047-86-1
Multi CAS
No
Molecular Formula
C9H16N2O
Molecular Weight
168.240000
Exact Mass
168.126263
InChI
InChI=1S/C9H16N2O/c12-8-9(11-7-6-10-8)4-2-1-3-5-9/h11H,1-7H2,(H,10,12)
InChIKey
NPGCDXDRKGAHMU-UHFFFAOYSA-N
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
0.5
Consensus LogP
0.42
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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