![CAS 455264-53-6 7-Oxaspiro[3.5]nonane-1,3-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/455264-53-6.gif)
CAS RN: 455264-53-6
7-Oxaspiro[3.5]nonane-1,3-dione
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.20260612 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS455264-53-6
- Purity/Analytical Methods: >99.0%
455264-53-6 / 7-oxaspiro[3.5]nonane-1,3-dione
Basic Information
CAS
455264-53-6
Multi CAS
Yes
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
InChI
InChI=1S/C8H10O3/c9-6-5-7(10)8(6)1-3-11-4-2-8/h1-5H2
InChIKey
ODRKWEAZLVDHNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
H-bond acceptors
3
Molar refractivity
37.12
TPSA
43.37
LogP / Solubility
WLOGP
0.33
MLOGP
0.28
XLogP3
0.1
Consensus LogP
0.24
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.93
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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