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CAS 952155-74-7 Cyclohexyltrimethylammonium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 952155-74-7

Cyclohexyltrimethylammonium Bis(trifluoromethanesulfonyl)imide

  • Product code: SSC-210502
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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: ≥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 952155-74-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

952155-74-7 / bis(trifluoromethylsulfonyl)azanide;cyclohexyl(trimethyl)azanium

Standard CAS: 952155-74-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
952155-74-7
Multi CAS
Yes
Molecular Formula
C11F6H20N2O4S2
Molecular Weight
422.400000
Exact Mass
422.076868
InChI
InChI=1S/C9H20N.C2F6NO4S2/c1-10(2,3)9-7-5-4-6-8-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H,4-8H2,1-3H3;/q+1;-1
InChIKey
UFYPPIXBMHRHIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
78.21
TPSA
82.38

LogP / Solubility

WLOGP
3.08
MLOGP
2.74
XLogP3
3.08
Consensus LogP
2.97
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
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)
-3.11

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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