3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole
TL;DR: 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole (CAS 714256-54-9) is a chemical compound with molecular formula C20H15FN4O3S and molecular weight 410.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole, 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole, 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole, 5-(2-fluorophenyl)-4-(2-furylmethyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole, 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
| Molecular Formula | C20H15FN4O3S |
|---|---|
| Molecular Weight | 410.08 g/mol |
| LogP | 4.926 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.0849 |
| Heavy Atoms | 29 |
| Complexity | 1127.1061 |
Chemical Identifiers
| CAS Number | 714256-54-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-])F |
Product Overview
3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole (CAS 714256-54-9), with molecular formula C20H15FN4O3S and molecular weight 410.08 g/mol. IUPAC: 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole
Property Insights of 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole
The XLogP value of 4.926 indicates that 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-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 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole?
The CAS number of 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole is 714256-54-9.
What is the molecular formula of 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole?
The molecular formula of 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole is C20H15FN4O3S.
What is the molecular weight of 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole?
The molecular weight of 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole is 410.08 g/mol.
Where can I buy 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole?
You can request a quote for 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-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-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-fluorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.