CAS RN: 5052-95-9
1-Oxa-3,8-diazaspiro(4.5)decan 2-one
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-157085
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
5052-95-9 / 1-oxa-3,8-diazaspiro[4.5]decan-2-one
Basic Information
CAS
5052-95-9
Multi CAS
Yes
Molecular Formula
C7H12N2O2
Molecular Weight
156.180000
Exact Mass
156.089878
InChI
InChI=1S/C7H12N2O2/c10-6-9-5-7(11-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)
InChIKey
LQGLKWIXYWZNGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.32
TPSA
50.36
LogP / Solubility
WLOGP
-0.15
MLOGP
-0.14
XLogP3
-0.3
Consensus LogP
-0.2
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
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)
-3.78
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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