3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
TL;DR: 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole (CAS 899385-76-3) is a chemical compound with molecular formula C20H15BrClN3OS and molecular weight 458.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole
Also Known As: 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole, 3-[(4-bromobenzyl)sulfanyl]-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole, 3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazole, 3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole, 3-[(4-bromophenyl)methylthio]-5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triaz ole
| Molecular Formula | C20H15BrClN3OS |
|---|---|
| Molecular Weight | 458.98 g/mol |
| LogP | 6.2946 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.98077 |
| Heavy Atoms | 27 |
| Complexity | 1031.8336 |
Chemical Identifiers
| CAS Number | 899385-76-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)Br |
Product Overview
3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole (CAS 899385-76-3), with molecular formula C20H15BrClN3OS and molecular weight 458.98 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazole.
Chemical Property Profile of 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
Property Insights of 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole
The XLogP value of 6.2946 indicates that 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-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 43.85 Ų, 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
The CAS number of 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole is 899385-76-3.
What is the molecular formula of 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
The molecular formula of 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole is C20H15BrClN3OS.
What is the molecular weight of 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
The molecular weight of 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole is 458.98 g/mol.
Where can I buy 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
You can request a quote for 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-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-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-bromobenzyl)thio)-5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.