![CAS 1215319-22-4 (5-Bromoimidazo[1,2-a]pyridin-2-yl)acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12691454.gif)
CAS RN: 1215319-22-4
(5-Bromoimidazo[1,2-a]pyridin-2-yl)acetic 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.20250515 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1215319-22-4
- Purity/Analytical Methods: >99.0%
1215319-22-4 / 2-(5-bromoimidazo[1,2-a]pyridin-2-yl)acetic acid
Basic Information
CAS
1215319-22-4
Multi CAS
No
Molecular Formula
C9H7BrN2O2
Molecular Weight
255.070000
Exact Mass
253.969090
SMILES
C1=CC2=NC(=CN2C(=C1)Br)CC(=O)O
InChI
InChI=1S/C9H7BrN2O2/c10-7-2-1-3-8-11-6(4-9(13)14)5-12(7)8/h1-3,5H,4H2,(H,13,14)
InChIKey
VRRYVLADHDXCAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.23
TPSA
54.6
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
2.3
Consensus LogP
1.85
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-3.05
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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