![CAS 1254309-85-7 8-Bromo-6-trifluoromethyl-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1254309-85-7.gif)
CAS RN: 1254309-85-7
8-Bromo-6-trifluoromethyl-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl 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 | Inquiry |
|---|---|---|---|---|
| Batchno.20250327 | 100mg / 250mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1254309-85-7
- Purity/Analytical Methods: >99.0%
1254309-85-7 / ethyl 8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
Basic Information
CAS
1254309-85-7
Multi CAS
No
Molecular Formula
C11H8BrF3N2O2
Molecular Weight
337.090000
Exact Mass
335.972120
SMILES
CCOC(=O)C1=CN2C=C(C=C(C2=N1)Br)C(F)(F)F
InChI
InChI=1S/C11H8BrF3N2O2/c1-2-19-10(18)8-5-17-4-6(11(13,14)15)3-7(12)9(17)16-8/h3-5H,2H2,1H3
InChIKey
DGWSIAKEZJPKQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
63.85
TPSA
43.6
LogP / Solubility
WLOGP
3.29
MLOGP
2.91
XLogP3
3.9
Consensus LogP
3.37
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
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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