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CAS 843-59-4 DIETHYL 2,5-DIOXOBICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLATE molecular structure lightbox
CAS RN: 843-59-4

DIETHYL 2,5-DIOXOBICYCLO[2.2.2]OCTANE-1,4-DICARBOXYLATE

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250707 1g Out of stock Inquiry
Batchno.20250604 250mg Out of stock Inquiry
Batchno.20250319 5g Out of stock Inquiry
  • Product code: SSC-191840
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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: ≥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 843-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

843-59-4 / diethyl 2,5-dioxobicyclo[2.2.2]octane-1,4-dicarboxylate

Standard CAS: 843-59-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
843-59-4
Multi CAS
Yes
Molecular Formula
C14H18O6
Molecular Weight
282.290000
Exact Mass
282.110338
InChI
InChI=1S/C14H18O6/c1-3-19-11(17)13-5-6-14(8-9(13)15,10(16)7-13)12(18)20-4-2/h3-8H2,1-2H3
InChIKey
ZRMZQKZRZQCGJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
66.61
TPSA
86.74

LogP / Solubility

WLOGP
0.81
MLOGP
0.72
XLogP3
0.5
Consensus LogP
0.68
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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