CAS RN: 190199-39-4
1-(2,5-DICHLOROPHENYL)-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.20260306 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS190199-39-4
- Purity/Analytical Methods: >99.0%
190199-39-4 / 1-(2,5-dichlorophenyl)imidazole
Basic Information
CAS
190199-39-4
Multi CAS
No
Molecular Formula
C9H6Cl2N2
Molecular Weight
213.060000
Exact Mass
211.990804
SMILES
C1=CC(=C(C=C1Cl)N2C=CN=C2)Cl
InChI
InChI=1S/C9H6Cl2N2/c10-7-1-2-8(11)9(5-7)13-4-3-12-6-13/h1-6H
InChIKey
JDWVRWMQPMZICT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.58
TPSA
17.82
LogP / Solubility
WLOGP
3.18
MLOGP
2.8
XLogP3
2.9
Consensus LogP
2.96
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-1.76
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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