2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide
TL;DR: 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide (CAS 585554-06-9) is a chemical compound with molecular formula C15H13Cl2N3OS and molecular weight 353.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole
Also Known As: 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazole, 3-((2,4-Dichlorobenzyl)thio)-4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazole, 2,4-DICHLOROBENZYL 4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL SULFIDE, 3-[(2,4-dichlorophenyl)methylthio]-4-ethyl-5-(2-furyl)-1,2,4-triazole, 3-[(2,4-dichlorobenzyl)sulfanyl]-4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazole
| Molecular Formula | C15H13Cl2N3OS |
|---|---|
| Molecular Weight | 353.02 g/mol |
| LogP | 5.1571 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.01562 |
| Heavy Atoms | 22 |
| Complexity | 771.198 |
Chemical Identifiers
| CAS Number | 585554-06-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)Cl)C3=CC=CO3 |
Product Overview
2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide (CAS 585554-06-9), with molecular formula C15H13Cl2N3OS and molecular weight 353.02 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole.
Chemical Property Profile of 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide
Property Insights of 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide
The XLogP value of 5.1571 indicates that 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.85 Ų, 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide 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 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide?
The CAS number of 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide is 585554-06-9.
What is the molecular formula of 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide?
The molecular formula of 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide is C15H13Cl2N3OS.
What is the molecular weight of 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide?
The molecular weight of 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide is 353.02 g/mol.
Where can I buy 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide?
You can request a quote for 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.