CAS RN: 1353856-19-5
4-Bromo-1-(3-trifluoromethylphenyl)-1H-imidazole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250707 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS1353856-19-5
- Purity/Analytical Methods: >99.0%
1353856-19-5 / 4-bromo-1-[3-(trifluoromethyl)phenyl]imidazole
Basic Information
CAS
1353856-19-5
Multi CAS
No
Molecular Formula
C10H6BrF3N2
Molecular Weight
291.070000
Exact Mass
289.966650
SMILES
C1=CC(=CC(=C1)N2C=C(N=C2)Br)C(F)(F)F
InChI
InChI=1S/C10H6BrF3N2/c11-9-5-16(6-15-9)8-3-1-2-7(4-8)10(12,13)14/h1-6H
InChIKey
LEDLFWRUKMGVGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.27
TPSA
17.82
LogP / Solubility
WLOGP
3.65
MLOGP
3.23
XLogP3
3.6
Consensus LogP
3.49
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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