![CAS 1312457-11-6 1,4-dioxa-7-azaspiro[4.5]decan-8-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1312457-11-6.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: 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 | Hong Kong | Inquiry |
1312457-11-6 / 1,4-dioxa-9-azaspiro[4.5]decan-8-one
Basic Information
CAS
1312457-11-6
Multi CAS
No
Molecular Formula
C7H11NO3
Molecular Weight
157.170000
Exact Mass
157.073893
SMILES
C1CC2(CNC1=O)OCCO2
InChI
InChI=1S/C7H11NO3/c9-6-1-2-7(5-8-6)10-3-4-11-7/h1-5H2,(H,8,9)
InChIKey
GVNZCUVZYNBLIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.88
TPSA
47.56
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.32
XLogP3
-0.9
Consensus LogP
-0.53
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
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)
-3.93
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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