CAS RN: 911641-38-8
Ethyl 1-(4-Bromophenyl)-1H-Imidazole-5-Carboxylate
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.20260212 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS911641-38-8
- Purity/Analytical Methods: >99.0%
911641-38-8 / ethyl 3-(4-bromophenyl)imidazole-4-carboxylate
Basic Information
CAS
911641-38-8
Multi CAS
No
Molecular Formula
BC12H11O2Rn2
Molecular Weight
295.130000
Exact Mass
294.000390
InChI
InChI=1S/C12H11BrN2O2/c1-2-17-12(16)11-7-14-8-15(11)10-5-3-9(13)4-6-10/h3-8H,2H2,1H3
InChIKey
PRWLWKBRYHBXOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
67.22
TPSA
44.12
LogP / Solubility
WLOGP
2.81
MLOGP
2.49
XLogP3
2.9
Consensus LogP
2.73
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
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)
-2.52
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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