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CAS 21544-03-6 Diglycidyl 4-Cyclohexene-1,2-dicarboxylate molecular structure lightbox
CAS RN: 21544-03-6

Diglycidyl 4-Cyclohexene-1,2-dicarboxylate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251219 100g In stock Shanghai Inquiry
Batchno.20260503 1kg In stock Shanghai Inquiry
Batchno.20250718 25g In stock Shanghai Inquiry
Batchno.20250725 500g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-103248
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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: 500g
  • 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 21544-03-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shanghai Inquiry

21544-03-6 / bis(oxiran-2-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate

Standard CAS: 21544-03-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21544-03-6
Multi CAS
No
Molecular Formula
C14H18O6
Molecular Weight
282.290000
Exact Mass
282.110338
SMILES
C1C=CCC(C1C(=O)OCC2CO2)C(=O)OCC3CO3
InChI
InChI=1S/C14H18O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h1-2,9-12H,3-8H2
InChIKey
KTPIWUHKYIJBCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
66.75
TPSA
77.66

LogP / Solubility

WLOGP
0.45
MLOGP
0.41
XLogP3
0.5
Consensus LogP
0.45
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-4.12

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
3.5

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