![CAS 53975-72-7 2,3-Dihydro-3-oxo-1,2,4-triazolo[4,3-a]pyridine-8-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/53975-72-7.gif)
CAS RN: 53975-72-7
2,3-Dihydro-3-oxo-1,2,4-triazolo[4,3-a]pyridine-8-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251210 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS53975-72-7
- Purity/Analytical Methods: >99.0%
53975-72-7 / 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
Basic Information
CAS
53975-72-7
Multi CAS
Yes
Molecular Formula
C7H5N3O3
Molecular Weight
179.130000
Exact Mass
179.033091
InChI
InChI=1S/C7H5N3O3/c11-6(12)4-2-1-3-10-5(4)8-9-7(10)13/h1-3H,(H,9,13)(H,11,12)
InChIKey
ZKBNKPSAROKKKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.77
TPSA
87.46
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.25
XLogP3
-0.2
Consensus LogP
-0.24
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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