CAS RN: 586965-46-0
4-CHLORO-5-IODOIMIDAZOLE
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.20250228 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS586965-46-0
- Purity/Analytical Methods: >99.0%
586965-46-0 / 5-chloro-4-iodo-1H-imidazole
Basic Information
CAS
586965-46-0
Multi CAS
No
Molecular Formula
C4H2LiN2
Molecular Weight
228.420000
Exact Mass
227.895120
InChI
InChI=1S/C3H2ClIN2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
InChIKey
SRLPYSSLGPKAFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.31
TPSA
28.68
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.7
Consensus LogP
1.61
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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