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CAS 20061-22-7 Spiro[2.3]hexan-5-one molecular structure lightbox
CAS RN: 20061-22-7

Spiro[2.3]hexan-5-one

Product Availability

Choose a grade to view its available package options.

5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260519 100mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250131 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20260114 1g Out of stock Inquiry
Batchno.20250731 250mg In stock Shanghai Inquiry
Batchno.20260601 5g Out of stock Inquiry
  • Product code: SSC-094425
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 20061-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

20061-22-7 / spiro[2.3]hexan-5-one

Standard CAS: 20061-22-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20061-22-7
Multi CAS
No
Molecular Formula
C6H8O
Molecular Weight
96.130000
Exact Mass
96.057515
SMILES
C1CC12CC(=O)C2
InChI
InChI=1S/C6H8O/c7-5-3-6(4-5)1-2-6/h1-4H2
InChIKey
MKWQOXREXMKNOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.83
H-bond acceptors
1
Molar refractivity
25.91
TPSA
17.07

LogP / Solubility

WLOGP
1.13
MLOGP
0.98
XLogP3
0.7
Consensus LogP
0.94
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-2.5

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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