![CAS 425702-95-0 6-(TrifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/425702-95-0.gif)
CAS RN: 425702-95-0
6-(TrifluoroMethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
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.20250729 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS425702-95-0
- Purity/Analytical Methods: >99.0%
425702-95-0 / 6-(trifluoromethyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
Basic Information
CAS
425702-95-0
Multi CAS
Yes
Molecular Formula
C7F3H4N3O
Molecular Weight
203.120000
Exact Mass
203.030646
InChI
InChI=1S/C7H4F3N3O/c8-7(9,10)4-1-2-5-11-12-6(14)13(5)3-4/h1-3H,(H,12,14)
InChIKey
LQMGJFYJBYMLCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.81
TPSA
50.16
LogP / Solubility
WLOGP
1.04
MLOGP
0.92
XLogP3
0.5
Consensus LogP
0.82
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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