CAS RN: 1824286-45-4
4-Iodo-1H-imidazole-2-carboxylic acid
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.20250911 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1824286-45-4
- Purity/Analytical Methods: >99.0%
1824286-45-4 / 5-iodo-1H-imidazole-2-carboxylic acid
Basic Information
CAS
1824286-45-4
Multi CAS
No
Molecular Formula
C4H3IN2O2
Molecular Weight
237.980000
Exact Mass
237.923920
SMILES
C1=C(NC(=N1)C(=O)O)I
InChI
InChI=1S/C4H3IN2O2/c5-2-1-6-3(7-2)4(8)9/h1H,(H,6,7)(H,8,9)
InChIKey
QVWYGSDNWSLGIU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.26
TPSA
65.98
LogP / Solubility
WLOGP
0.71
MLOGP
0.63
XLogP3
0.6
Consensus LogP
0.65
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-3.67
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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