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CAS 502-49-8 Cyclooctanone molecular structure lightbox
CAS RN: 502-49-8

Cyclooctanone

Product Availability

Choose a grade to view its available package options.

11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 100g In stock Inquiry
Batchno.20250331 10g In stock Inquiry
Batchno.20250530 25g In stock Inquiry
Batchno.20260528 500g Out of stock Inquiry
Batchno.20250928 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 100g In stock Shanghai Inquiry
Batchno.20250620 10g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250614 1kg In stock Shanghai, Wuhan Inquiry
Batchno.20260507 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250622 500g In stock Shanghai, Wuhan Inquiry
Batchno.20250817 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-156610
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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: 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 502-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

502-49-8 / cyclooctanone

Standard CAS: 502-49-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
502-49-8
Multi CAS
Yes
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
InChI
InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
InChIKey
IIRFCWANHMSDCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.88
H-bond acceptors
1
Molar refractivity
37.33
TPSA
17.07

LogP / Solubility

WLOGP
2.3
MLOGP
2.01
XLogP3
1.9
Consensus LogP
2.07
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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