CAS RN: 543740-89-2
6-AMino-5-iodo-nicotinic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251214 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS543740-89-2
- Purity/Analytical Methods: >99.0%
543740-89-2 / 6-amino-5-iodopyridine-3-carboxylic acid
Basic Information
CAS
543740-89-2
Multi CAS
No
Molecular Formula
C6H5In2O2
Molecular Weight
264.020000
Exact Mass
263.939570
InChI
InChI=1S/C6H5IN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)
InChIKey
FKCUPIYQJSBUPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.33
TPSA
76.21
LogP / Solubility
WLOGP
0.97
MLOGP
0.86
XLogP3
0.7
Consensus LogP
0.84
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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