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CAS 286014-53-7 1,3-BIS(2,4,6-TRIMETHYLPHENYL)-IMIDAZOLIDINIUM-TETRAFLUOROBORATE molecular structure lightbox
CAS RN: 286014-53-7

1,3-BIS(2,4,6-TRIMETHYLPHENYL)-IMIDAZOLIDINIUM-TETRAFLUOROBORATE

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 1g In stock Inquiry
Batchno.20250116 250mg In stock Inquiry
Batchno.20251107 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 1g In stock Shanghai Inquiry
Batchno.20260527 250mg In stock Shanghai Inquiry
Batchno.20260622 25g In stock Chengdu Inquiry
Batchno.20260523 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-130073
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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: ＞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 286014-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

286014-53-7 / 1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium tetrafluoroborate

Standard CAS: 286014-53-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
286014-53-7
Multi CAS
Yes
Molecular Formula
BC21F4H25N2
Molecular Weight
392.200000
Exact Mass
392.204692
InChI
InChI=1S/C21H25N2.BF4/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2-1(3,4)5/h7-13H,1-6H3;/q+1;-1
InChIKey
VMNIOVNFFKZSAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
105.91
TPSA
8.81

LogP / Solubility

WLOGP
5.9
MLOGP
5.22
XLogP3
5.9
Consensus LogP
5.67
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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