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CAS 959698-44-3 Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 959698-44-3

Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide

  • Product code: SSC-211718
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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: ＞97%
  • 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 959698-44-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

959698-44-3 / bis(trifluoromethylsulfonyl)azanide;tributyl(2-methoxyethyl)phosphanium

Standard CAS: 959698-44-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
959698-44-3
Multi CAS
No
Molecular Formula
C17F6H34NO5PS2
Molecular Weight
541.600000
Exact Mass
541.152022
InChI
InChI=1S/C15H34OP.C2F6NO4S2/c1-5-8-12-17(13-9-6-2,14-10-7-3)15-11-16-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-15H2,1-4H3;/q+1;-1
InChIKey
QFLRMCUVYQFPCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
5
Molar refractivity
116.3
TPSA
91.61

LogP / Solubility

WLOGP
6.11
MLOGP
5.42
XLogP3
6.11
Consensus LogP
5.88
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-8.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.93
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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