![CAS 2091411-47-9 5-Bromo-imidazo[1,2-a]pyridine-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2091411-47-9.png)
CAS RN: 2091411-47-9
5-Bromo-imidazo[1,2-a]pyridine-3-carbonitrile
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.20260403 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2091411-47-9
- Purity/Analytical Methods: >99.0%
2091411-47-9 / 5-bromoimidazo[1,2-a]pyridine-3-carbonitrile
Basic Information
CAS
2091411-47-9
Multi CAS
No
Molecular Formula
C8H4BrN3
Molecular Weight
222.040000
Exact Mass
220.958860
SMILES
C1=CC2=NC=C(N2C(=C1)Br)C#N
InChI
InChI=1S/C8H4BrN3/c9-7-2-1-3-8-11-5-6(4-10)12(7)8/h1-3,5H
InChIKey
VXKLXCUQBHYESW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
47.61
TPSA
41.09
LogP / Solubility
WLOGP
1.97
MLOGP
1.73
XLogP3
2.8
Consensus LogP
2.17
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
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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