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CAS 245679-18-9 1,3-Dimesityl-4,5-dihydro-1H-imidazol-3-ium Tetrafluoroborate molecular structure lightbox
CAS RN: 245679-18-9

1,3-Dimesityl-4,5-dihydro-1H-imidazol-3-ium Tetrafluoroborate

Product Availability

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10 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250607 1g In stock Inquiry
Batchno.20250105 250mg In stock Inquiry
Batchno.20250209 25g In stock Inquiry
Batchno.20251004 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250407 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250612 100g Out of stock Inquiry
Batchno.20251125 1g In stock Shanghai Inquiry
Batchno.20250405 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250608 25g In stock Chengdu Inquiry
Batchno.20250729 5g In stock Shanghai Inquiry
  • Product code: SSC-119344
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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, 5g
  • 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 245679-18-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

245679-18-9 / 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium tetrafluoroborate

Standard CAS: 245679-18-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
245679-18-9
Multi CAS
No
Molecular Formula
C21H27BF4N2
Molecular Weight
394.300000
Exact Mass
394.220342
SMILES
[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C21H27N2.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/h9-13H,7-8H2,1-6H3;/q+1;-1
InChIKey
VNRDQIOMNLIVQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
109.69
TPSA
6.25

LogP / Solubility

WLOGP
6.03
MLOGP
5.33
XLogP3
6.03
Consensus LogP
5.8
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.47
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.84

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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