![[1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid structure](/static/products/665/665015-29-2.png)
[1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid
TL;DR: [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid (CAS 665015-29-2) is a chemical compound with molecular formula C8H5N3O3S2 and molecular weight 254.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-sulfonic acid
Also Known As: BAS 06292449, [1,2,4]triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid, AN-465/41674181, [1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-sulfonic acid, Benzo[4,5]thiazolo[2,3-c][1,2,4]triazole-3-sulfonic acid
| Molecular Formula | C8H5N3O3S2 |
|---|---|
| Molecular Weight | 254.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.97723 |
| Heavy Atoms | 16 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 665015-29-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=NN=C3S(=O)(=O)O)S2 |
| InChIKey | JEJBMUYQEHMPFY-UHFFFAOYSA-N |
Product Overview
[1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid (CAS 665015-29-2), with molecular formula C8H5N3O3S2 and molecular weight 254.98 g/mol. IUPAC: [1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-sulfonic acid.
Chemical Property Profile of [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid
Property Insights of [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid. Following Lipinski's Rule of Five, [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid?
The CAS number of [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid is 665015-29-2.
What is the molecular formula of [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid?
The molecular formula of [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid is C8H5N3O3S2.
What is the molecular weight of [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid?
The molecular weight of [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid is 254.98 g/mol.
Where can I buy [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid?
You can request a quote for [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for [1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.