![[(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid structure](/static/products/831/831247-98-4.png)
[(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid
TL;DR: [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid (CAS 831247-98-4) is a chemical compound with molecular formula C16H12N4O2S and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetic acid
Also Known As: [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid|AR-422/42730400|SR-01000296578-1|2-[(4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetic acid|[(9-phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]acetic acid|2-((9-Phenyl-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-yl)thio)acetic acid|2-((9-Phenyl-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-yl)thio)aceticacid|({7-PHENYL-2,4,5,7-TETRAAZATRICYCLO[6.4.0.0(2),?]DODECA-1(12),3,5,8,10-PENTAEN-3-YL}SULFANYL)ACETIC ACID|({7-phenyl-2,4,5,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-3-yl}sulfanyl)acetic acid
| Molecular Formula | C16H12N4O2S |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 2.8499 |
| Topological Polar Surface Area | 72.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.06808 |
| Heavy Atoms | 23 |
| Complexity | 1006.956 |
Chemical Identifiers
| CAS Number | 831247-98-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3N4C2=NN=C4SCC(=O)O |
Product Overview
[(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid (CAS 831247-98-4), with molecular formula C16H12N4O2S and molecular weight 324.07 g/mol. IUPAC: 2-[(4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid
Property Insights of [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid
The XLogP value of 2.8499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid. The TPSA of 72.42 Ų falls within the moderate polarity range, balancing permeability and solubility for [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic 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-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid?
The CAS number of [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid is 831247-98-4.
What is the molecular formula of [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid?
The molecular formula of [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid is C16H12N4O2S.
What is the molecular weight of [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid?
The molecular weight of [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid is 324.07 g/mol.
Where can I buy [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid?
You can request a quote for [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(9-Phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.