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CAS 4845-50-5 1,4-Dioxane-2,3-diol molecular structure lightbox
CAS RN: 4845-50-5

1,4-Dioxane-2,3-diol

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 10g In stock Inquiry
Batchno.20250310 1g In stock Inquiry
Batchno.20250808 25g In stock Inquiry
Batchno.20250816 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250731 100g In stock Shanghai Inquiry
Batchno.20251226 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260507 25g In stock Shanghai Inquiry
Batchno.20250601 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-155241
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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: ≥96%
  • 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 4845-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥96% 0 Out of Stock Shanghai Inquiry

4845-50-5 / 1,4-dioxane-2,3-diol

Standard CAS: 4845-50-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4845-50-5
Multi CAS
Yes
Molecular Formula
C4H8O4
Molecular Weight
120.100000
Exact Mass
120.042259
InChI
InChI=1S/C4H8O4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2
InChIKey
YLVACWCCJCZITJ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
23.92
TPSA
58.92

LogP / Solubility

WLOGP
-1.33
MLOGP
-1.18
XLogP3
-1.3
Consensus LogP
-1.27
Log S (ESOL)
0.25
Class (ESOL)
Highly soluble
Log S (Ali)
0.42
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.66
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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