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CAS 2219-51-4 ETHYLENE-D4 GLYCOL molecular structure lightbox
CAS RN: 2219-51-4

ETHYLENE-D4 GLYCOL

  • Product code: SSC-106711
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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 2219-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2219-51-4 / 1,1,2,2-tetradeuterioethane-1,2-diol

Standard CAS: 2219-51-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2219-51-4
Multi CAS
No
Molecular Formula
C2H6O2
Molecular Weight
66.090000
Exact Mass
66.061886
SMILES
[2H]C([2H])(C([2H])([2H])O)O
InChI
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2
InChIKey
LYCAIKOWRPUZTN-LNLMKGTHSA-N

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
14.17
TPSA
40.46

LogP / Solubility

WLOGP
-1.03
MLOGP
-0.92
XLogP3
-1.4
Consensus LogP
-1.12
Log S (ESOL)
0.49
Class (ESOL)
Highly soluble
Log S (Ali)
0.67
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.67
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)
-3.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1

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