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CAS 500996-04-3 1-Benzyl-3-methylimidazolium Tetrafluoroborate molecular structure lightbox
CAS RN: 500996-04-3

1-Benzyl-3-methylimidazolium Tetrafluoroborate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250214 100g In stock Shanghai Inquiry
Batchno.20250424 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong, Shandong 8-10 business days Inquiry
Batchno.20260603 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250324 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-156471
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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: ≥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 500996-04-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

500996-04-3 / 1-benzyl-3-methylimidazol-3-ium tetrafluoroborate

Standard CAS: 500996-04-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
500996-04-3
Multi CAS
Yes
Molecular Formula
BC11F4H13N2
Molecular Weight
260.040000
Exact Mass
260.110791
InChI
InChI=1S/C11H13N2.BF4/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;2-1(3,4)5/h2-8,10H,9H2,1H3;/q+1;-1
InChIKey
QULDEUUWXMCUFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.34
TPSA
8.81

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
2.66
Consensus LogP
2.56
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

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

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