4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole
TL;DR: 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole (CAS 848987-72-4) is a chemical compound with molecular formula C23H23N3O2S and molecular weight 405.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-3-[(4-methylphenoxy)methyl]-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole, 1-({4-(2-furylmethyl)-5-[(3-methylphenyl)methylthio](1,2,4-triazol-3-yl)}metho xy)-4-methylbenzene, 4-(furan-2-ylmethyl)-3-(4-methylphenoxymethyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazole, 4-(furan-2-ylmethyl)-3-[(3-methylbenzyl)sulfanyl]-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole, 4-(furan-2-ylmethyl)-3-[(4-methylphenoxy)methyl]-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
| Molecular Formula | C23H23N3O2S |
|---|---|
| Molecular Weight | 405.15 g/mol |
| LogP | 5.40754 |
| Topological Polar Surface Area | 53.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.1511 |
| Heavy Atoms | 29 |
| Complexity | 1056.1887 |
Chemical Identifiers
| CAS Number | 848987-72-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC4=CC=CC(=C4)C |
Product Overview
4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole (CAS 848987-72-4), with molecular formula C23H23N3O2S and molecular weight 405.15 g/mol. IUPAC: 4-(furan-2-ylmethyl)-3-[(4-methylphenoxy)methyl]-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole
Property Insights of 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole
The XLogP value of 5.40754 indicates that 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.08 Ų, 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
The CAS number of 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole is 848987-72-4.
What is the molecular formula of 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
The molecular formula of 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole is C23H23N3O2S.
What is the molecular weight of 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
The molecular weight of 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole is 405.15 g/mol.
Where can I buy 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
You can request a quote for 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)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 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(furan-2-ylmethyl)-3-((3-methylbenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.