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CAS 227617-70-1 1-Butyl-2,3-dimethylimidazolium Hexafluorophosphate molecular structure lightbox
CAS RN: 227617-70-1

1-Butyl-2,3-dimethylimidazolium Hexafluorophosphate

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250420 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Hebei, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251205 5g In stock Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250114 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260505 1kg Out of stock Inquiry
Batchno.20250622 25g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250728 500g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260111 5g In stock Shanghai Inquiry
Batchno.20250522 5g / 25g / 100g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: SSC-110905
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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: ≥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 227617-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

227617-70-1 / 1-butyl-2,3-dimethylimidazol-3-ium hexafluorophosphate

Standard CAS: 227617-70-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227617-70-1
Multi CAS
No
Molecular Formula
C9H17F6N2P
Molecular Weight
298.210000
Exact Mass
298.103355
SMILES
CCCCN1C=C[N+](=C1C)C.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C9H17N2.F6P/c1-4-5-6-11-8-7-10(3)9(11)2;1-7(2,3,4,5)6/h7-8H,4-6H2,1-3H3;/q+1;-1
InChIKey
JWFPQAXAGSAKRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
58.82
TPSA
8.81

LogP / Solubility

WLOGP
4.8
MLOGP
4.24
XLogP3
4.8
Consensus LogP
4.61
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
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)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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