![CAS 172270-85-8 Methyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/172270-85-8.gif)
CAS RN: 172270-85-8
Methyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
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.20251101 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-075739
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 |
172270-85-8 / methyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate
Basic Information
CAS
172270-85-8
Multi CAS
No
Molecular Formula
C11H16O4
Molecular Weight
212.240000
Exact Mass
212.104859
SMILES
COC(=O)C=C1CCC2(CC1)OCCO2
InChI
InChI=1S/C11H16O4/c1-13-10(12)8-9-2-4-11(5-3-9)14-6-7-15-11/h8H,2-7H2,1H3
InChIKey
OGJDZVITLCFAII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
53.2
TPSA
44.76
LogP / Solubility
WLOGP
1.4
MLOGP
1.24
XLogP3
0.7
Consensus LogP
1.11
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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