![9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid structure](/static/products/7142/714210-05-6.webp)
9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid
TL;DR: 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid (CAS 714210-05-6) is a chemical compound with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonic acid
Also Known As: 4-benzyl-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonic acid, AR-422/43007598, 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid, A3806/0161585, 9-benzyl-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazole-3-sulfonic acid
| Molecular Formula | C15H12N4O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 1.979 |
| Topological Polar Surface Area | 89.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.06302 |
| Heavy Atoms | 23 |
| Complexity | 1113.7598 |
Chemical Identifiers
| CAS Number | 714210-05-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NN=C4S(=O)(=O)O |
Product Overview
9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid (CAS 714210-05-6), with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol. IUPAC: 4-benzyl-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonic acid.
Chemical Property Profile of 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid
Property Insights of 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid
The XLogP value of 1.979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid. The TPSA of 89.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid. Following Lipinski's Rule of Five, 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid has 1 hydrogen bond donor(s) and 4 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 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid?
The CAS number of 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid is 714210-05-6.
What is the molecular formula of 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid?
The molecular formula of 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid is C15H12N4O3S.
What is the molecular weight of 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid?
The molecular weight of 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid is 328.06 g/mol.
Where can I buy 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid?
You can request a quote for 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-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 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 9-benzyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.