![CAS 1781-81-3 Spiro[5.5]undecan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1781-81-3.gif)
CAS RN: 1781-81-3
Spiro[5.5]undecan-2-one
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260225 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260618 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260602 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250111 | 25mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250401 | 50mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: SSC-078271
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 | Beijing | Inquiry |
1781-81-3 / spiro[5.5]undecan-4-one
Basic Information
CAS
1781-81-3
Multi CAS
No
Molecular Formula
C11H18O
Molecular Weight
166.260000
Exact Mass
166.135765
SMILES
C1CCC2(CC1)CCCC(=O)C2
InChI
InChI=1S/C11H18O/c12-10-5-4-8-11(9-10)6-2-1-3-7-11/h1-9H2
InChIKey
FEYUTRZPSFLEST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.91
H-bond acceptors
1
Molar refractivity
48.99
TPSA
17.07
LogP / Solubility
WLOGP
3.08
MLOGP
2.71
XLogP3
3.2
Consensus LogP
3
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
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