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CAS 258273-75-5 Butyltrimethylammonium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 258273-75-5

Butyltrimethylammonium Bis(trifluoromethanesulfonyl)imide

  • Product code: SSC-122426
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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, 25g
  • Available purity: ≥98%
  • 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 258273-75-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

258273-75-5 / bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium

Standard CAS: 258273-75-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
258273-75-5
Multi CAS
No
Molecular Formula
C9H18F6N2O4S2
Molecular Weight
396.400000
Exact Mass
396.061218
SMILES
CCCC[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H18N.C2F6NO4S2/c1-5-6-7-8(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H2,1-4H3;/q+1;-1
InChIKey
XSGKJXQWZSFJEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
71.12
TPSA
82.38

LogP / Solubility

WLOGP
2.55
MLOGP
2.27
XLogP3
2.55
Consensus LogP
2.46
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
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
Yes
Log Kp (skin permeation)
-3.33

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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