CAS RN: 263874-05-1
1,1′-(2,6-Pyridinediyl)bis(3-methylimidazolium) Dibromide
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250310 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250602 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251013 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260503 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260513 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-123860
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
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
263874-05-1 / 2,6-bis(3-methylimidazol-3-ium-1-yl)pyridine dibromide
Basic Information
CAS
263874-05-1
Multi CAS
No
Molecular Formula
C13H15Br2N5
Molecular Weight
401.100000
Exact Mass
400.967370
SMILES
C[N+]1=CN(C=C1)C2=NC(=CC=C2)N3C=C[N+](=C3)C.[Br-].[Br-]
InChI
InChI=1S/C13H15N5.2BrH/c1-15-6-8-17(10-15)12-4-3-5-13(14-12)18-9-7-16(2)11-18;;/h3-11H,1-2H3;2*1H/q+2;;/p-2
InChIKey
VAESRVWVZJLVIA-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
65.24
TPSA
30.51
LogP / Solubility
WLOGP
-5.68
MLOGP
-4.97
XLogP3
-5.68
Consensus LogP
-5.44
Log S (ESOL)
0.79
Class (ESOL)
Highly soluble
Log S (Ali)
1.25
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.21
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-9.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 889617-36-1 3,3′-Methylenebis[1-(2,6-diisopropylphenyl)-3-imidazolium Bromide] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m2791-jpgcontextbwfzdgvyfhjvb3r8mzgwmdb8aw1hz2uvanblz3xozjkvadg2lzg5mze2mdiymdi2ntqvtti3oteuanbnfdeyntzinjniote5mze2yzqwzwzlmgrlotq1ywrjnjjlmta5ntnhognjzjfmodm2odiyyza3nzjkmtc2owyxy2m.jpeg)
