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CAS 187863-42-9 1-Butylpyridinium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 187863-42-9

1-Butylpyridinium Bis(trifluoromethanesulfonyl)imide

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260102 100g In stock Shandong Inquiry
Batchno.20250111 25g In stock Shandong, Chongqing Inquiry
Batchno.20251008 500g Out of stock 5-7 business days Inquiry
Batchno.20251107 5g In stock Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-087342
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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: 100g
  • 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 187863-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

187863-42-9 / bis(trifluoromethylsulfonyl)azanide;1-butylpyridin-1-ium

Standard CAS: 187863-42-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
187863-42-9
Multi CAS
No
Molecular Formula
C11H14F6N2O4S2
Molecular Weight
416.400000
Exact Mass
416.029918
SMILES
CCCC[N+]1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C9H14N.C2F6NO4S2/c1-2-3-7-10-8-5-4-6-9-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6,8-9H,2-3,7H2,1H3;/q+1;-1
InChIKey
XHIHMDHAPXMAQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
74.85
TPSA
86.26

LogP / Solubility

WLOGP
2.83
MLOGP
2.52
XLogP3
2.83
Consensus LogP
2.73
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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)
-3.25

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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