CAS RN: 189224-48-4
2-(2-ETHYL-2,3-DIHYDRO-2-BENZOFURANYL)-1H-IMIDAZOLE
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250604 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS189224-48-4
- Purity/Analytical Methods: >99.0%
189224-48-4 / 2-(2-ethyl-3H-1-benzofuran-2-yl)-1H-imidazole
Basic Information
CAS
189224-48-4
Multi CAS
No
Molecular Formula
C13H14N2O
Molecular Weight
214.260000
Exact Mass
214.110613
SMILES
CCC1(CC2=CC=CC=C2O1)C3=NC=CN3
InChI
InChI=1S/C13H14N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-8H,2,9H2,1H3,(H,14,15)
InChIKey
JCWVNNMJXQJVNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.33
TPSA
37.91
LogP / Solubility
WLOGP
2.65
MLOGP
2.33
XLogP3
2.3
Consensus LogP
2.43
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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