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CAS 557788-37-1 Ethyl(2-methoxyethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 557788-37-1

Ethyl(2-methoxyethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide

  • Product code: SSC-163733
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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: 5g
  • 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 557788-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

557788-37-1 / bis(trifluoromethylsulfonyl)azanide;ethyl-(2-methoxyethyl)-dimethylazanium

Standard CAS: 557788-37-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
557788-37-1
Multi CAS
No
Molecular Formula
C9F6H18N2O5S2
Molecular Weight
412.400000
Exact Mass
412.056133
InChI
InChI=1S/C7H18NO.C2F6NO4S2/c1-5-8(2,3)6-7-9-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H2,1-4H3;/q+1;-1
InChIKey
NGLLWWMHAWYWLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
72.7
TPSA
91.61

LogP / Solubility

WLOGP
1.79
MLOGP
1.6
XLogP3
1.79
Consensus LogP
1.73
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-3.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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