![CAS 1893797-71-1 3-Bromo-5-trifluoromethyl-imidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1893797-71-1.gif)
CAS RN: 1893797-71-1
3-Bromo-5-trifluoromethyl-imidazo[1,2-a]pyridine
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.20260111 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1893797-71-1
- Purity/Analytical Methods: >99.0%
1893797-71-1 / 3-bromo-5-(trifluoromethyl)imidazo[1,2-a]pyridine
Basic Information
CAS
1893797-71-1
Multi CAS
No
Molecular Formula
C8H4BrF3N2
Molecular Weight
265.030000
Exact Mass
263.951000
SMILES
C1=CC2=NC=C(N2C(=C1)C(F)(F)F)Br
InChI
InChI=1S/C8H4BrF3N2/c9-6-4-13-7-3-1-2-5(14(6)7)8(10,11)12/h1-4H
InChIKey
CMMHGJNKDPMBPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
47.89
TPSA
17.3
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3.7
Consensus LogP
3.19
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
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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