CAS RN: 1049126-60-4
1H-IMidazole, 4-broMo-1-Methyl-2-(2-Methylphenyl)-
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.20250513 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1049126-60-4
- Purity/Analytical Methods: >99.0%
1049126-60-4 / 4-bromo-1-methyl-2-(2-methylphenyl)imidazole
4-Bromo-1-methyl-2-(o-tolyl)-1H-imidazole | 1H-Imidazole, 4-bromo-1-methyl-2-(2-methylphenyl)- | 4-bromo-1-methyl-2-(2-methylphenyl)imidazole
Basic Information
CAS
1049126-60-4
Multi CAS
No
Molecular Formula
C11H11BrN2
Molecular Weight
251.120000
Exact Mass
250.010560
SMILES
CC1=CC=CC=C1C2=NC(=CN2C)Br
InChI
InChI=1S/C11H11BrN2/c1-8-5-3-4-6-9(8)11-13-10(12)7-14(11)2/h3-7H,1-2H3
InChIKey
FHVVROHXSODRCM-UHFFFAOYSA-N
Synonyms
4-Bromo-1-methyl-2-(o-tolyl)-1H-imidazole
1H-Imidazole, 4-bromo-1-methyl-2-(2-methylphenyl)-
4-bromo-1-methyl-2-(2-methylphenyl)imidazole
1H-Imidazole,4-bromo-1-methyl-2-(2-methylphenyl)-
CS-B0626
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.08
TPSA
17.82
LogP / Solubility
WLOGP
3.16
MLOGP
2.79
XLogP3
3.1
Consensus LogP
3.02
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
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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