![5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole structure](/static/products/5773/57736-58-0.webp)
5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
TL;DR: 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole (CAS 57736-58-0) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
Also Known As: BAS 01313186, 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole, BIM-0037291.P001, 3-Ethyl-5-(4-methoxy-benzylsulfanyl)-4H-[1,2,4]triazole, 3-ethyl-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazole
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 57736-58-0 |
|---|---|
| SMILES | CCC1=NC(=NN1)SCC2=CC=C(C=C2)OC |
| InChIKey | TVNDHCGSGPVWET-UHFFFAOYSA-N |
Product Overview
5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole (CAS 57736-58-0), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
Property Insights of 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
The XLogP value of 3.1 indicates that 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole 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 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole?
The CAS number of 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole is 57736-58-0.
What is the molecular formula of 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole?
The molecular formula of 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole is C12H15N3OS.
What is the molecular weight of 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole?
The molecular weight of 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole is 249.09 g/mol.
Where can I buy 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole?
You can request a quote for 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-ethyl-3-[(4-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.