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CAS 380497-19-8 1-HEXYL-1-METHYLPYRROLIDINIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE molecular structure lightbox
CAS RN: 380497-19-8

1-HEXYL-1-METHYLPYRROLIDINIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 5g In stock Shanghai Inquiry
  • Product code: SSC-145539
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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 380497-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

380497-19-8 / bis(trifluoromethylsulfonyl)azanide;1-hexyl-1-methylpyrrol-1-ium

Standard CAS: 380497-19-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
380497-19-8
Multi CAS
Yes
Molecular Formula
C13F6H20N2O4S2
Molecular Weight
446.400000
Exact Mass
446.076868
InChI
InChI=1S/C11H24N.C2F6NO4S2/c1-3-4-5-6-9-12(2)10-7-8-11-12;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-11H2,1-2H3;/q+1;-1
InChIKey
WHLFUNXODNBHOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.69
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
86.78
TPSA
82.38

LogP / Solubility

WLOGP
4.11
MLOGP
3.65
XLogP3
4.11
Consensus LogP
3.96
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
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)
-2.52

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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