CAS RN: 850429-53-7
2,5-DIBROMO-1-TRITYLIMIDAZOLE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250505 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS850429-53-7
- Purity/Analytical Methods: >99.0%
850429-53-7 / 2,5-dibromo-1-tritylimidazole
Basic Information
CAS
850429-53-7
Multi CAS
No
Molecular Formula
C22H16BR2N2
Molecular Weight
468.200000
Exact Mass
467.965970
InChI
InChI=1S/C22H16Br2N2/c23-20-16-25-21(24)26(20)22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKey
GGUUMQXVXRVHTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
23
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
112.23
TPSA
17.82
LogP / Solubility
WLOGP
6.25
MLOGP
5.53
XLogP3
6.8
Consensus LogP
6.19
Log S (ESOL)
-7.07
Class (ESOL)
Insoluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.14
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
3
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