3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
TL;DR: 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole (CAS 861111-70-8) is a chemical compound with molecular formula C21H17Cl2N3O2S and molecular weight 445.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole
Also Known As: 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole, 1-{5-[(2,6-dichlorophenyl)methylthio]-4-(2-furylmethyl)(1,2,4-triazol-3-yl)}-3 -methoxybenzene, 3-[(2,6-dichlorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole, 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(2-furylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole, 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole
| Molecular Formula | C21H17Cl2N3O2S |
|---|---|
| Molecular Weight | 445.04 g/mol |
| LogP | 6.1941 |
| Topological Polar Surface Area | 53.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.04184 |
| Heavy Atoms | 29 |
| Complexity | 1092.829 |
Chemical Identifiers
| CAS Number | 861111-70-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=C(C=CC=C4Cl)Cl |
Product Overview
3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole (CAS 861111-70-8), with molecular formula C21H17Cl2N3O2S and molecular weight 445.04 g/mol. IUPAC: 3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole.
Chemical Property Profile of 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
Property Insights of 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole
The XLogP value of 6.1941 indicates that 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-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 53.08 Ų, 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
The CAS number of 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole is 861111-70-8.
What is the molecular formula of 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
The molecular formula of 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole is C21H17Cl2N3O2S.
What is the molecular weight of 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
The molecular weight of 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole is 445.04 g/mol.
Where can I buy 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
You can request a quote for 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-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-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,6-dichlorobenzyl)thio)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.