![CAS 1421312-07-3 8-BroMo-6-fluoro-iMidazo[1,2-a]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82645517(2).gif)
CAS RN: 1421312-07-3
8-BroMo-6-fluoro-iMidazo[1,2-a]pyridine-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.20250618 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1421312-07-3
- Purity/Analytical Methods: >99.0%
1421312-07-3 / 8-bromo-6-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
Basic Information
CAS
1421312-07-3
Multi CAS
No
Molecular Formula
C8H4BrFN2O2
Molecular Weight
259.030000
Exact Mass
257.944020
SMILES
C1=C(C2=NC(=CN2C=C1F)C(=O)O)Br
InChI
InChI=1S/C8H4BrFN2O2/c9-5-1-4(10)2-12-3-6(8(13)14)11-7(5)12/h1-3H,(H,13,14)
InChIKey
LBFJRGWQGMBRCK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.81
TPSA
54.6
LogP / Solubility
WLOGP
1.93
MLOGP
1.71
XLogP3
2.4
Consensus LogP
2.01
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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