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CAS 380497-17-6 1-Methyl-1-pentylpyrrolidinium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 380497-17-6

1-Methyl-1-pentylpyrrolidinium Bis(trifluoromethanesulfonyl)imide

Product Availability

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250914 200mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250701 1g Out of stock Inquiry
Batchno.20250906 5g Out of stock Inquiry
  • Product code: SSC-145538
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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: ≥97%
  • 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 380497-17-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

380497-17-6 / bis(trifluoromethylsulfonyl)azanide;1-methyl-1-pentylpyrrolidin-1-ium

Standard CAS: 380497-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
380497-17-6
Multi CAS
No
Molecular Formula
C12F6H22N2O4S2
Molecular Weight
436.400000
Exact Mass
436.092519
InChI
InChI=1S/C10H22N.C2F6NO4S2/c1-3-4-5-8-11(2)9-6-7-10-11;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-10H2,1-2H3;/q+1;-1
InChIKey
UODQEMVTULZGKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
82.85
TPSA
82.38

LogP / Solubility

WLOGP
3.48
MLOGP
3.09
XLogP3
3.48
Consensus LogP
3.35
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
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)
-2.91

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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