4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
TL;DR: 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole (CAS 896853-67-1) is a chemical compound with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole, 4-(furan-2-ylmethyl)-3-[(3-methoxybenzyl)sulfanyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole, 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole
| Molecular Formula | C22H21N3O3S |
|---|---|
| Molecular Weight | 407.13 g/mol |
| LogP | 4.8959 |
| Topological Polar Surface Area | 62.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.13037 |
| Heavy Atoms | 29 |
| Complexity | 1076.6183 |
Chemical Identifiers
| CAS Number | 896853-67-1 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)OC |
Product Overview
4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole (CAS 896853-67-1), with molecular formula C22H21N3O3S and molecular weight 407.13 g/mol. IUPAC: 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Property Insights of 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
The XLogP value of 4.8959 indicates that 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole 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
Frequently Asked Questions
What is the CAS number of 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
The CAS number of 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole is 896853-67-1.
What is the molecular formula of 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
The molecular formula of 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole is C22H21N3O3S.
What is the molecular weight of 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
The molecular weight of 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole is 407.13 g/mol.
Where can I buy 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
You can request a quote for 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-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 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(furan-2-ylmethyl)-3-((3-methoxybenzyl)thio)-5-(3-methoxyphenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.