![4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole structure](/static/products/7109/710984-06-8.webp)
4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole
TL;DR: 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole (CAS 710984-06-8) is a chemical compound with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole
Also Known As: 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole, ({4-(2-furylmethyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl}methoxy)b enzene, 4-(2-furylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole, 4-(furan-2-ylmethyl)-3-((4-nitrobenzyl)thio)-5-(phenoxymethyl)-4H-1,2,4-triazole, 4-(furan-2-ylmethyl)-3-[(4-nitrobenzyl)sulfanyl]-5-(phenoxymethyl)-4H-1,2,4-triazole
| Molecular Formula | C21H18N4O4S |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 4.6989 |
| Topological Polar Surface Area | 96.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.1049 |
| Heavy Atoms | 30 |
| Complexity | 1096.0139 |
Chemical Identifiers
| CAS Number | 710984-06-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole (CAS 710984-06-8), with molecular formula C21H18N4O4S and molecular weight 422.10 g/mol. IUPAC: 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole.
Chemical Property Profile of 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole
Property Insights of 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole
The XLogP value of 4.6989 indicates that 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole. Following Lipinski's Rule of Five, 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole has 0 hydrogen bond donor(s) and 7 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-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole?
The CAS number of 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole is 710984-06-8.
What is the molecular formula of 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole?
The molecular formula of 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole is C21H18N4O4S.
What is the molecular weight of 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole?
The molecular weight of 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole is 422.10 g/mol.
Where can I buy 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole?
You can request a quote for 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-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-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(phenoxymethyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.