![CAS 1824284-78-7 6-broMo-2-(trifluoroMethyl)-[1,2,4]triazolo[1,5-a]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42596769.gif)
CAS RN: 1824284-78-7
6-broMo-2-(trifluoroMethyl)-[1,2,4]triazolo[1,5-a]pyrazine
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.20251112 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1824284-78-7
- Purity/Analytical Methods: >99.0%
1824284-78-7 / 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrazine
Basic Information
CAS
1824284-78-7
Multi CAS
No
Molecular Formula
C6H2BrF3N4
Molecular Weight
267.010000
Exact Mass
265.941490
SMILES
C1=C(N=CC2=NC(=NN21)C(F)(F)F)Br
InChI
InChI=1S/C6H2BrF3N4/c7-3-2-14-4(1-11-3)12-5(13-14)6(8,9)10/h1-2H
InChIKey
ILGCWBNSFAWGSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.17
H-bond acceptors
4
Molar refractivity
43.48
TPSA
43.08
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
1.6
Consensus LogP
1.73
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
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
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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