![CAS 1428532-93-7 8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1428532-93-7.gif)
CAS RN: 1428532-93-7
8-chloro-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.20260206 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1428532-93-7
- Purity/Analytical Methods: >99.0%
1428532-93-7 / 8-chloro-6-(trifluoromethyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
Basic Information
CAS
1428532-93-7
Multi CAS
No
Molecular Formula
C7H3ClF3N3O
Molecular Weight
237.560000
Exact Mass
236.991674
SMILES
C1=C(C2=NNC(=O)N2C=C1C(F)(F)F)Cl
InChI
InChI=1S/C7H3ClF3N3O/c8-4-1-3(7(9,10)11)2-14-5(4)12-13-6(14)15/h1-2H,(H,13,15)
InChIKey
ZEWPPMJHVMHLHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.82
TPSA
50.16
LogP / Solubility
WLOGP
1.69
MLOGP
1.5
XLogP3
1.3
Consensus LogP
1.5
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.97
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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