Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate
TL;DR: Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate (CAS 148693-78-1) is a chemical compound with molecular formula C16H14N4O2S and molecular weight 326.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: BAS 02054375, methyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate, Methyl 2-[[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetate, Methyl {[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Technical Specifications
| Molecular Formula | C16H14N4O2S |
| Molecular Weight | 326.08374 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.08374 Da |
| Heavy Atoms | 23 |
| Complexity | 386.0 |
| SMILES | COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=NC=C3 |
| InChIKey | YSZOZBRLCFVAQB-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate
Property Insights of Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate. Following Lipinski's Rule of Five, Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
The CAS number of Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate is 148693-78-1.
What is the molecular formula of Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
The molecular formula of Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate is C16H14N4O2S.
What is the molecular weight of Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
The molecular weight of Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate is 326.08374 g/mol.
Where can I buy Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
You can request a quote for Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.