![CAS 864933-07-3 5-BROMO-2H-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/864933-07-3.gif)
CAS RN: 864933-07-3
5-BROMO-2H-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-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.20250827 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS864933-07-3
- Purity/Analytical Methods: >99.0%
864933-07-3 / 5-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
Basic Information
CAS
864933-07-3
Multi CAS
Yes
Molecular Formula
BC6H4ORn3
Molecular Weight
214.020000
Exact Mass
212.953770
InChI
InChI=1S/C6H4BrN3O/c7-4-2-1-3-5-8-9-6(11)10(4)5/h1-3H,(H,9,11)
InChIKey
WPXABJKQENXEKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.51
TPSA
50.16
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
0.9
Consensus LogP
0.79
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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