3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole
TL;DR: 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole (CAS 678554-12-6) is a chemical compound with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
Also Known As: 3-(2-FURYL)-5-((3-METHOXYBENZYL)THIO)-4-METHYL-4H-1,2,4-TRIAZOLE, 3-(Furan-2-yl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole, 3-(furan-2-yl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole, 3-(2-furyl)-5-[(3-methoxybenzyl)thio]-4-methyl-4H-1,2,4-triazole, 3-(furan-2-yl)-5-[(3-methoxybenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
| Molecular Formula | C15H15N3O2S |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.0885 |
| Heavy Atoms | 21 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 678554-12-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC(=CC=C2)OC)C3=CC=CO3 |
| InChIKey | JXRGPKNQDNZTNX-UHFFFAOYSA-N |
Product Overview
3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole (CAS 678554-12-6), with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol. IUPAC: 3-(furan-2-yl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole.
Chemical Property Profile of 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole
Property Insights of 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole has 0 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 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole?
The CAS number of 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole is 678554-12-6.
What is the molecular formula of 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole?
The molecular formula of 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole is C15H15N3O2S.
What is the molecular weight of 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole?
The molecular weight of 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole is 301.09 g/mol.
Where can I buy 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole?
You can request a quote for 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-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 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Furyl)-5-((3-methoxybenzyl)thio)-4-methyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.