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CAS 927021-43-0 1-Methyl-1-n-octylpyrrolidinium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 927021-43-0

1-Methyl-1-n-octylpyrrolidinium Bis(trifluoromethanesulfonyl)imide

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250321 25g Out of stock 15 business days Inquiry
Batchno.20260201 5g In stock Shandong Inquiry
  • Product code: SSC-206517
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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 927021-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

927021-43-0 / bis(trifluoromethylsulfonyl)azanide;1-methyl-1-octylpyrrolidin-1-ium

Standard CAS: 927021-43-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
927021-43-0
Multi CAS
No
Molecular Formula
C15F6H28N2O4S2
Molecular Weight
478.500000
Exact Mass
478.139469
InChI
InChI=1S/C13H28N.C2F6NO4S2/c1-3-4-5-6-7-8-11-14(2)12-9-10-13-14;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-13H2,1-2H3;/q+1;-1
InChIKey
IZSJXAHBNZXKSK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
96.7
TPSA
82.38

LogP / Solubility

WLOGP
4.65
MLOGP
4.12
XLogP3
4.65
Consensus LogP
4.47
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.71
Class (SILICOS-IT)
Insoluble

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)
-2.34

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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