CAS RN: 850429-58-2
2,5-DIBROMO-1,4-DIMETHYL-1H-IMIDAZOLE
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.20260602 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS850429-58-2
- Purity/Analytical Methods: >99.0%
850429-58-2 / 2,5-dibromo-1,4-dimethylimidazole
Basic Information
CAS
850429-58-2
Multi CAS
No
Molecular Formula
C5H6BR2N2
Molecular Weight
253.920000
Exact Mass
253.887720
InChI
InChI=1S/C5H6Br2N2/c1-3-4(6)9(2)5(7)8-3/h1-2H3
InChIKey
AFIOEMVCUQOFOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
2
Molar refractivity
43.35
TPSA
17.82
LogP / Solubility
WLOGP
2.25
MLOGP
1.99
XLogP3
1.7
Consensus LogP
1.98
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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