![CAS 1546282-91-0 2-OXA-5,8-DIAZASPIRO[3.5]NONAN-7-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1546282-91-0.gif)
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1546282-91-0 / 2-oxa-5,8-diazaspiro[3.5]nonan-7-one
Basic Information
CAS
1546282-91-0
Multi CAS
No
Molecular Formula
C6H10N2O2
Molecular Weight
142.160000
Exact Mass
142.074228
SMILES
C1C(=O)NCC2(N1)COC2
InChI
InChI=1S/C6H10N2O2/c9-5-1-8-6(2-7-5)3-10-4-6/h8H,1-4H2,(H,7,9)
InChIKey
FAFUQYNIJIVBKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.56
TPSA
50.36
LogP / Solubility
WLOGP
-1.53
MLOGP
-1.35
XLogP3
-1.6
Consensus LogP
-1.49
Log S (ESOL)
0.24
Class (ESOL)
Highly soluble
Log S (Ali)
0.38
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.68
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.67
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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