4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)
TL;DR: 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) (CAS 500267-41-4) is a chemical compound with molecular formula C24H28N6S2 and molecular weight 464.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[4-ethyl-5-(2-phenylethylsulfanyl)-1,2,4-triazol-3-yl]-5-(2-phenylethylsulfanyl)-1,2,4-triazole
Also Known As: F1259-0012, 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole), AF-399/41508615, 4-ethyl-3-{4-ethyl-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-5-[(2-phenylethyl)sulfanyl]-4H-1,2,4-triazole, 5,5'-bis{4-ethyl-3-[(2-phenylethyl)thio]-4H-1,2,4-triazole}
| Molecular Formula | C24H28N6S2 |
|---|---|
| Molecular Weight | 464.18 g/mol |
| LogP | 5.246 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 464.1817 |
| Heavy Atoms | 32 |
| Complexity | 1018.49207 |
Chemical Identifiers
| CAS Number | 500267-41-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCCC2=CC=CC=C2)C3=NN=C(N3CC)SCCC4=CC=CC=C4 |
Product Overview
4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) (CAS 500267-41-4), with molecular formula C24H28N6S2 and molecular weight 464.18 g/mol. IUPAC: 4-ethyl-3-[4-ethyl-5-(2-phenylethylsulfanyl)-1,2,4-triazol-3-yl]-5-(2-phenylethylsulfanyl)-1,2,4-triazole.
Chemical Property Profile of 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)
Property Insights of 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)
The XLogP value of 5.246 indicates that 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole). Following Lipinski's Rule of Five, 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(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 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)?
The CAS number of 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) is 500267-41-4.
What is the molecular formula of 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)?
The molecular formula of 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) is C24H28N6S2.
What is the molecular weight of 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)?
The molecular weight of 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) is 464.18 g/mol.
Where can I buy 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)?
You can request a quote for 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(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 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-diethyl-5,5'-bis(phenethylthio)-4H,4'H-3,3'-bi(1,2,4-triazole) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.