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CAS 5426-09-5 4,10-DIOXATRICYCLO[5.2.1.0(2,6)]DEC-8-ENE-3,5-DIONE molecular structure lightbox
CAS RN: 5426-09-5

4,10-DIOXATRICYCLO[5.2.1.0(2,6)]DEC-8-ENE-3,5-DIONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250307 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-161892
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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: 25g
  • 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 5426-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

5426-09-5 / 4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Standard CAS: 5426-09-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5426-09-5
Multi CAS
Yes
Molecular Formula
C8H6O4
Molecular Weight
166.130000
Exact Mass
166.026609
InChI
InChI=1S/C8H6O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-6H
InChIKey
QQYNRBAAQFZCLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.5
H-bond acceptors
4
Molar refractivity
35.88
TPSA
52.6

LogP / Solubility

WLOGP
-0.36
MLOGP
-0.32
XLogP3
-0.5
Consensus LogP
-0.39
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
Class (SILICOS-IT)
Very 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)
-3.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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