![[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid structure](/static/products/874/874468-54-9.png)
[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid
TL;DR: [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid (CAS 874468-54-9) is a chemical compound with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetic acid
Also Known As: BAS 05948199, [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid, 2-((9-Methyl-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-yl)thio)acetic acid, AR-422/41715195, 2-[(4-methyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetic acid
| Molecular Formula | C11H10N4O2S |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.05246 |
| Heavy Atoms | 18 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 874468-54-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N3C1=NN=C3SCC(=O)O |
| InChIKey | HPDRIBLMKYOXSW-UHFFFAOYSA-N |
Product Overview
[(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid (CAS 874468-54-9), with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol. IUPAC: 2-[(4-methyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid
Property Insights of [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid has 1 hydrogen bond donor(s) and 5 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-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid?
The CAS number of [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid is 874468-54-9.
What is the molecular formula of [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid?
The molecular formula of [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid is C11H10N4O2S.
What is the molecular weight of [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid?
The molecular weight of [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid is 262.05 g/mol.
Where can I buy [(9-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid?
You can request a quote for [(9-Methyl-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-Methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(9-Methyl-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.