![3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid structure](/static/products/874/874468-53-8.png)
3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid
TL;DR: 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid (CAS 874468-53-8) is a chemical compound with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]propanoic acid
Also Known As: BAS 07567492, 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid, 3-((9-Methyl-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-yl)thio)propanoic acid, AR-422/42508202, 3-[(4-methyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]propanoic acid
| Molecular Formula | C12H12N4O2S |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 1.7878 |
| Topological Polar Surface Area | 72.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.06808 |
| Heavy Atoms | 19 |
| Complexity | 761.60535 |
Chemical Identifiers
| CAS Number | 874468-53-8 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N3C1=NN=C3SCCC(=O)O |
Product Overview
3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid (CAS 874468-53-8), with molecular formula C12H12N4O2S and molecular weight 276.07 g/mol. IUPAC: 3-[(4-methyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid
Property Insights of 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid
The XLogP value of 1.7878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid. The TPSA of 72.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid. Following Lipinski's Rule of Five, 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic 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 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid?
The CAS number of 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid is 874468-53-8.
What is the molecular formula of 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid?
The molecular formula of 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid is C12H12N4O2S.
What is the molecular weight of 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid?
The molecular weight of 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid is 276.07 g/mol.
Where can I buy 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid?
You can request a quote for 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]-benzimidazol-3-yl)thio]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.