![CAS 914780-97-5 8-Methyl1,4-dioxaspiro[4.5]decane-8-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/914780-97-5.gif)
CAS RN: 914780-97-5
8-Methyl1,4-dioxaspiro[4.5]decane-8-carbonitrile
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.20251114 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-204671
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 | Shenzhen | Inquiry |
914780-97-5 / 8-methyl-1,4-dioxaspiro[4.5]decane-8-carbonitrile
Basic Information
CAS
914780-97-5
Multi CAS
No
Molecular Formula
C10H15NO2
Molecular Weight
181.230000
Exact Mass
181.110279
InChI
InChI=1S/C10H15NO2/c1-9(8-11)2-4-10(5-3-9)12-6-7-13-10/h2-7H2,1H3
InChIKey
JNFOVWRVUGBVAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
H-bond acceptors
3
Molar refractivity
46.82
TPSA
42.25
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1
Consensus LogP
1.48
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.52
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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