![3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole structure](/static/products/879/879459-41-3.png)
3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
TL;DR: 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole (CAS 879459-41-3) is a chemical compound with molecular formula C20H15ClN4O3S and molecular weight 426.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole, 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole, 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole, 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole, 5-(3-chlorophenyl)-4-(2-furylmethyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triaz ole
| Molecular Formula | C20H15ClN4O3S |
|---|---|
| Molecular Weight | 426.06 g/mol |
| LogP | 5.4403 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.05533 |
| Heavy Atoms | 29 |
| Complexity | 1127.1061 |
Chemical Identifiers
| CAS Number | 879459-41-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole (CAS 879459-41-3), with molecular formula C20H15ClN4O3S and molecular weight 426.06 g/mol. IUPAC: 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
Property Insights of 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
The XLogP value of 5.4403 indicates that 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-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-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole 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 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
The CAS number of 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole is 879459-41-3.
What is the molecular formula of 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
The molecular formula of 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole is C20H15ClN4O3S.
What is the molecular weight of 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
The molecular weight of 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole is 426.06 g/mol.
Where can I buy 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
You can request a quote for 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-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-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-4-(2-furylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.