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CAS 1890-25-1 Spiro[5.5]undeca-3-one molecular structure lightbox
CAS RN: 1890-25-1

Spiro[5.5]undeca-3-one

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250408 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251125 10g Out of stock Inquiry
Batchno.20250413 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250927 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251109 5g In stock Shenzhen, Chengdu Inquiry
  • Product code: SSC-088087
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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: 1g
  • Available purity: ＞97%
  • 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 1890-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1890-25-1 / spiro[5.5]undecan-3-one

Standard CAS: 1890-25-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1890-25-1
Multi CAS
No
Molecular Formula
C11H18O
Molecular Weight
166.260000
Exact Mass
166.135765
SMILES
C1CCC2(CC1)CCC(=O)CC2
InChI
InChI=1S/C11H18O/c12-10-4-8-11(9-5-10)6-2-1-3-7-11/h1-9H2
InChIKey
QIPAUQVWJAXYOQ-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
Consensus LogP
2.93
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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