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CAS 706759-44-6 5-Azoniaspiro[4.4]nonane Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 706759-44-6

5-Azoniaspiro[4.4]nonane Bis(trifluoromethanesulfonyl)imide

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260601 1g In stock Inquiry
Batchno.20251125 5g In stock Inquiry
  • Product code: SSC-180405
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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 706759-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

706759-44-6 / 5-azoniaspiro[4.4]nonane;bis(trifluoromethylsulfonyl)azanide

Standard CAS: 706759-44-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
706759-44-6
Multi CAS
Yes
Molecular Formula
C10F6H16N2O4S2
Molecular Weight
406.400000
Exact Mass
406.045568
InChI
InChI=1S/C8H16N.C2F6NO4S2/c1-2-6-9(5-1)7-3-4-8-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-8H2;/q+1;-1
InChIKey
JAVADOYKHZRSMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
71.51
TPSA
82.38

LogP / Solubility

WLOGP
2.45
MLOGP
2.18
XLogP3
2.45
Consensus LogP
2.36
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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)
-3.46

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
3.5

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