![[5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid structure](/static/products/3333/333312-58-6.webp)
[5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
TL;DR: [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid (CAS 333312-58-6) is a chemical compound with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid|BAS 02137810|AG-690/40752655|2-((5-(2-Methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid|2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid|[5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3|{[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl}acetic acid|2-((5-(2-Methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)aceticacid|2-[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-ylthio]acetic acid|{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid|{[5-(2-METHOXYPHENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETIC ACID|SMR000011085|MLS000074590
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 333312-58-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2OC |
| InChIKey | WIORZJUMOCARCL-UHFFFAOYSA-N |
Product Overview
[5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid (CAS 333312-58-6), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: 2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
Property Insights of [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid. Following Lipinski's Rule of Five, [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic 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 [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
The CAS number of [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid is 333312-58-6.
What is the molecular formula of [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
The molecular formula of [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid is C12H13N3O3S.
What is the molecular weight of [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
The molecular weight of [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid is 279.07 g/mol.
Where can I buy [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
You can request a quote for [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [5-(2-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.