![CAS 2088975-64-6 8-bromo-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine(WXFC0506) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2088975-64-6.png)
CAS RN: 2088975-64-6
8-bromo-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine(WXFC0506)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250708 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2088975-64-6
- Purity/Analytical Methods: >99.0%
2088975-64-6 / 8-bromo-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Basic Information
CAS
2088975-64-6
Multi CAS
No
Molecular Formula
C7H4BrF3N4
Molecular Weight
281.030000
Exact Mass
279.957140
SMILES
C1=C(C2=NC(=NN2C(=C1)C(F)(F)F)N)Br
InChI
InChI=1S/C7H4BrF3N4/c8-3-1-2-4(7(9,10)11)15-5(3)13-6(12)14-15/h1-2H,(H2,12,14)
InChIKey
HRCKNYWKHBWFJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.1
TPSA
56.21
LogP / Solubility
WLOGP
2.09
MLOGP
1.85
XLogP3
2
Consensus LogP
1.98
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
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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