![2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid structure](/static/products/6262/626223-76-5.webp)
2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
TL;DR: 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid (CAS 626223-76-5) 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-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: BAS 07331005, 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid, [5-(3-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3, [5-(3-Methoxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid, {[5-(3-METHOXYPHENYL)-4-METHYL-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETIC ACID
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 1.6674 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 597.6556 |
Chemical Identifiers
| CAS Number | 626223-76-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)O)C2=CC(=CC=C2)OC |
Product Overview
2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid (CAS 626223-76-5), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: 2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Property Insights of 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
The XLogP value of 1.6674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]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 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
The CAS number of 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid is 626223-76-5.
What is the molecular formula of 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
The molecular formula of 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid is C12H13N3O3S.
What is the molecular weight of 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
The molecular weight of 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid is 279.07 g/mol.
Where can I buy 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
You can request a quote for 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(3-Methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.