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CAS 216299-72-8 1-Methyl-3-propylimidazolium Bis(trifluoromethanesulfonyl)imide molecular structure lightbox
CAS RN: 216299-72-8

1-Methyl-3-propylimidazolium Bis(trifluoromethanesulfonyl)imide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250726 100g In stock Inquiry
Batchno.20251017 1g In stock Inquiry
Batchno.20260424 25g In stock Inquiry
Batchno.20260611 5g In stock Inquiry
  • Product code: SSC-103643
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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: 25g
  • 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 216299-72-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

216299-72-8 / bis(trifluoromethylsulfonyl)azanide;1-methyl-3-propylimidazol-1-ium

Standard CAS: 216299-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216299-72-8
Multi CAS
No
Molecular Formula
C9H13F6N3O4S2
Molecular Weight
405.300000
Exact Mass
405.025167
SMILES
CCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H13N2.C2F6NO4S2/c1-3-4-9-6-5-8(2)7-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H,3-4H2,1-2H3;/q+1;-1
InChIKey
CDWUIWLQQDTHRA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
69.21
TPSA
91.19

LogP / Solubility

WLOGP
1.78
MLOGP
1.59
XLogP3
1.78
Consensus LogP
1.72
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
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
No
Log Kp (skin permeation)
-3.93

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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