CAS RN: 1261365-44-9
5-Bromo-2,3-diiodopyridine
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.20251109 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1261365-44-9
- Purity/Analytical Methods: >99.0%
1261365-44-9 / 5-bromo-2,3-diiodopyridine
Basic Information
CAS
1261365-44-9
Multi CAS
No
Molecular Formula
C5H2BrI2N
Molecular Weight
409.790000
Exact Mass
408.746010
SMILES
C1=C(C=NC(=C1I)I)Br
InChI
InChI=1S/C5H2BrI2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey
XUTYGXLWMSAZAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
57.37
TPSA
12.89
LogP / Solubility
WLOGP
3.05
MLOGP
2.71
XLogP3
2.9
Consensus LogP
2.89
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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