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CAS 56217-56-2 1,4-DIOXANE-2-CARBOXALDEHYDE molecular structure lightbox
CAS RN: 56217-56-2

1,4-DIOXANE-2-CARBOXALDEHYDE

  • Product code: SSC-164201
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 56217-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 1 In Stock Hong Kong Inquiry

56217-56-2 / 1,4-dioxane-2-carbaldehyde

Standard CAS: 56217-56-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56217-56-2
Multi CAS
Yes
Molecular Formula
C5H8O3
Molecular Weight
116.110000
Exact Mass
116.047344
InChI
InChI=1S/C5H8O3/c6-3-5-4-7-1-2-8-5/h3,5H,1-2,4H2
InChIKey
SOYANKPFXHJUCE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
26.62
TPSA
35.53

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.36
XLogP3
-0.7
Consensus LogP
-0.49
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
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)
-3.71

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
2

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