![CAS 1392210-97-7 3-Bromo-imidazo[1,2-a]pyridine-5-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1392210-97-7.gif)
CAS RN: 1392210-97-7
3-Bromo-imidazo[1,2-a]pyridine-5-carboxylic acid methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260407 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS1392210-97-7
- Purity/Analytical Methods: >99.0%
1392210-97-7 / methyl 3-bromoimidazo[1,2-a]pyridine-5-carboxylate
Basic Information
CAS
1392210-97-7
Multi CAS
No
Molecular Formula
C9H7BrN2O2
Molecular Weight
255.070000
Exact Mass
253.969090
SMILES
COC(=O)C1=CC=CC2=NC=C(N21)Br
InChI
InChI=1S/C9H7BrN2O2/c1-14-9(13)6-3-2-4-8-11-5-7(10)12(6)8/h2-5H,1H3
InChIKey
AQPSZUNKSRAYPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
54.23
TPSA
43.6
LogP / Solubility
WLOGP
1.88
MLOGP
1.66
XLogP3
3
Consensus LogP
2.18
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3
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)
-2.94
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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