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CAS 854841-54-6 2,5-p-Dioxanediethanol (5CI) molecular structure lightbox
CAS RN: 854841-54-6

2,5-p-Dioxanediethanol (5CI)

  • Product code: SSC-193906
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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 854841-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

854841-54-6 / 2-[5-(2-hydroxyethyl)-1,4-dioxan-2-yl]ethanol

Standard CAS: 854841-54-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
854841-54-6
Multi CAS
No
Molecular Formula
C8H16O4
Molecular Weight
176.210000
Exact Mass
176.104859
InChI
InChI=1S/C8H16O4/c9-3-1-7-5-12-8(2-4-10)6-11-7/h7-10H,1-6H2
InChIKey
SLKRRWYUZRUKFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.89
TPSA
58.92

LogP / Solubility

WLOGP
-0.46
MLOGP
-0.41
XLogP3
-0.8
Consensus LogP
-0.56
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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