![CAS 577771-09-6 [1,2,3]thiadiazolo[5,4-b]pyridine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/577771-09-6.gif)
CAS RN: 577771-09-6
[1,2,3]thiadiazolo[5,4-b]pyridine-6-carboxylic acid
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.20250103 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS577771-09-6
- Purity/Analytical Methods: >99.0%
577771-09-6 / thiadiazolo[5,4-b]pyridine-6-carboxylic acid
Basic Information
CAS
577771-09-6
Multi CAS
Yes
Molecular Formula
C6H3N3O2S
Molecular Weight
181.170000
Exact Mass
180.994598
InChI
InChI=1S/C6H3N3O2S/c10-6(11)3-1-4-5(7-2-3)12-9-8-4/h1-2H,(H,10,11)
InChIKey
YFRBFGUUUDQBMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
42.17
TPSA
75.97
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
0.7
Consensus LogP
0.72
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-3.27
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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