![4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole structure](/static/products/714/714240-74-1.png)
4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole
TL;DR: 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole (CAS 714240-74-1) is a chemical compound with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyl)-3-(3-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole, 4-(furan-2-ylmethyl)-3-((4-nitrobenzyl)thio)-5-(m-tolyl)-4H-1,2,4-triazole, 4-(furan-2-ylmethyl)-3-(3-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole, 4-(furan-2-ylmethyl)-3-(3-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole, 4-(furan-2-ylmethyl)-3-(3-methylphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
| Molecular Formula | C21H18N4O3S |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 5.09532 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.10995 |
| Heavy Atoms | 29 |
| Complexity | 1121.3059 |
Chemical Identifiers
| CAS Number | 714240-74-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole (CAS 714240-74-1), with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol. IUPAC: 4-(furan-2-ylmethyl)-3-(3-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole
Property Insights of 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole
The XLogP value of 5.09532 indicates that 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole 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 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole. Following Lipinski's Rule of Five, 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole?
The CAS number of 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole is 714240-74-1.
What is the molecular formula of 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole?
The molecular formula of 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole is C21H18N4O3S.
What is the molecular weight of 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole?
The molecular weight of 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole is 406.11 g/mol.
Where can I buy 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole?
You can request a quote for 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-furylmethyl)-5-(3-methylphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.