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CAS 945611-27-8 1-Ethyl-3-methylimidazolium dimethyl phosphate molecular structure lightbox
CAS RN: 945611-27-8

1-Ethyl-3-methylimidazolium dimethyl phosphate

  • Product code: SSC-209626
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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: ≥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 945611-27-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

945611-27-8 / dimethyl phosphate;1-ethyl-3-methylimidazol-3-ium

Standard CAS: 945611-27-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
945611-27-8
Multi CAS
No
Molecular Formula
C8H17N2O4P
Molecular Weight
236.210000
Exact Mass
236.092594
InChI
InChI=1S/C6H11N2.C2H7O4P/c1-3-8-5-4-7(2)6-8;1-5-7(3,4)6-2/h4-6H,3H2,1-2H3;1-2H3,(H,3,4)/q+1;/p-1
InChIKey
WTKUDOCGUOSPGV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
52.91
TPSA
67.4

LogP / Solubility

WLOGP
0.08
MLOGP
0.07
XLogP3
0.08
Consensus LogP
0.08
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
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)
-4.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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