2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide
TL;DR: 2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide (CAS 578698-08-5) is a chemical compound with molecular formula C17H19N3OS and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole
Also Known As: SALOR-INT L367060-1EA, 3-((2,5-Dimethylbenzyl)thio)-4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazole, 2,5-DIMETHYLBENZYL 4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL SULFIDE, 3-[(2,5-dimethylphenyl)methylthio]-4-ethyl-5-(2-furyl)-1,2,4-triazole, 3-[(2,5-dimethylbenzyl)sulfanyl]-4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazole
| Molecular Formula | C17H19N3OS |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 4.46714 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.12488 |
| Heavy Atoms | 22 |
| Complexity | 762.31445 |
Chemical Identifiers
| CAS Number | 578698-08-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=C(C=CC(=C2)C)C)C3=CC=CO3 |
Product Overview
2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide (CAS 578698-08-5), with molecular formula C17H19N3OS and molecular weight 313.12 g/mol. IUPAC: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole.
Chemical Property Profile of 2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide
Property Insights of 2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide
The XLogP value of 4.46714 indicates that 2,5-Dimethylbenzyl 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, 2,5-Dimethylbenzyl 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, 2,5-Dimethylbenzyl 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide?
The CAS number of 2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide is 578698-08-5.
What is the molecular formula of 2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide?
The molecular formula of 2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide is C17H19N3OS.
What is the molecular weight of 2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide?
The molecular weight of 2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide is 313.12 g/mol.
Where can I buy 2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide?
You can request a quote for 2,5-Dimethylbenzyl 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 2,5-Dimethylbenzyl 4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethylbenzyl 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.