CAS RN: 1621307-01-4
1,3-bis(4-bromophenyl)-1H-imidazol-3-ium bromide
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.20251031 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250601 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260126 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251027 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250406 | 5g | In stock | Shanghai | Inquiry |
- Product code: LINH887503
1621307-01-4 / 1,3-bis(4-bromophenyl)imidazol-1-ium bromide
Basic Information
CAS
1621307-01-4
Multi CAS
No
Molecular Formula
C15H11Br3N2
Molecular Weight
459.000000
Exact Mass
457.845190
SMILES
C1=CC(=CC=C1N2C=C[N+](=C2)C3=CC=C(C=C3)Br)Br.[Br-]
InChI
InChI=1S/C15H11Br2N2.BrH/c16-12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(17)4-8-15;/h1-11H;1H/q+1;/p-1
InChIKey
ZRNSNSXMWZQSTN-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
82.7
TPSA
8.81
LogP / Solubility
WLOGP
1.28
MLOGP
1.16
XLogP3
1.28
Consensus LogP
1.24
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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