[email protected]
CAS 286014-42-4 1,3-Di(1-adamantyl)imidazolium Tetrafluoroborate molecular structure lightbox
CAS RN: 286014-42-4

1,3-Di(1-adamantyl)imidazolium Tetrafluoroborate

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260201 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20260321 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250801 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260225 25g Out of stock Inquiry
Batchno.20251212 5g In stock Wuhan Inquiry
  • Product code: SSC-130072
GET A QUOTE
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
Request Bulk Quote

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 286014-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

286014-42-4 / 1,3-bis(1-adamantyl)imidazol-1-ium tetrafluoroborate

Standard CAS: 286014-42-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
286014-42-4
Multi CAS
Yes
Molecular Formula
C23H33BF4N2
Molecular Weight
424.300000
Exact Mass
424.267292
InChI
InChI=1S/C23H33N2.BF4/c1-2-25(23-12-19-6-20(13-23)8-21(7-19)14-23)15-24(1)22-9-16-3-17(10-22)5-18(4-16)11-22;2-1(3,4)5/h1-2,15-21H,3-14H2;/q+1;-1
InChIKey
KVWCCJYLKCSVME-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
5
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
107.11
TPSA
8.81

LogP / Solubility

WLOGP
5.93
MLOGP
5.24
XLogP3
5.93
Consensus LogP
5.7
Log S (ESOL)
-6.2
Class (ESOL)
Insoluble
Log S (Ali)
-7.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.1

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
10

Customers Also Viewed

Get In Touch

Contact Us