![CAS 83313-55-7 1,4-Dioxaspiro[4.5]dec-7-ene, 7-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83313-55-7.gif)
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
83313-55-7 / 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
Basic Information
CAS
83313-55-7
Multi CAS
No
Molecular Formula
C9H14O2
Molecular Weight
154.210000
Exact Mass
154.099380
InChI
InChI=1S/C9H14O2/c1-8-3-2-4-9(7-8)10-5-6-11-9/h3H,2,4-7H2,1H3
InChIKey
BWPDLOWPECZDAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.78
H-bond acceptors
2
Molar refractivity
42.24
TPSA
18.46
LogP / Solubility
WLOGP
1.86
MLOGP
1.63
XLogP3
1.1
Consensus LogP
1.53
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-2.34
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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