![2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone) structure](/static/products/4520/452089-21-3.webp)
2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone)
TL;DR: 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone) (CAS 452089-21-3) is a chemical compound with molecular formula C26H24N6O2S2 and molecular weight 516.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone), 2-[[5-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, F1044-0014, 2-[(5-{5-[(2-oxo-2-phenylethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethan-1-one, 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethan-1-one)
| Molecular Formula | C26H24N6O2S2 |
|---|---|
| Molecular Weight | 516.14 g/mol |
| LogP | 4.8586 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 516.1402 |
| Heavy Atoms | 36 |
| Complexity | 1260.1045 |
Chemical Identifiers
| CAS Number | 452089-21-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=NN=C(N3CC=C)SCC(=O)C4=CC=CC=C4 |
Product Overview
2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone) (CAS 452089-21-3), with molecular formula C26H24N6O2S2 and molecular weight 516.14 g/mol. IUPAC: 2-[[5-(5-phenacylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone)
Property Insights of 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone)
The XLogP value of 4.8586 indicates that 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone). Following Lipinski's Rule of Five, 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone)?
The CAS number of 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone) is 452089-21-3.
What is the molecular formula of 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone)?
The molecular formula of 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone) is C26H24N6O2S2.
What is the molecular weight of 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone)?
The molecular weight of 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone) is 516.14 g/mol.
Where can I buy 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone)?
You can request a quote for 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-phenylethanone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.