![2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone) structure](/static/products/4520/452089-35-9.webp)
2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone)
TL;DR: 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone) (CAS 452089-35-9) is a chemical compound with molecular formula C26H22Cl2N6O2S2 and molecular weight 584.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[5-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
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-(4-chlorophenyl)ethanone), F1044-0059, 1-(4-chlorophenyl)-2-{[5-(5-{[2-(4-chlorophenyl)-2-oxoethyl]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}ethan-1-one, 1-(4-chlorophenyl)-2-[[5-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-chlorophenyl)-2-(5-{5-[2-(4-chlorophenyl)-2-oxoethylthio]-4-prop-2-enyl(1 ,2,4-triazol-3-yl)}-4-prop-2-enyl(1,2,4-triazol-3-ylthio))ethan-1-one
| Molecular Formula | C26H22Cl2N6O2S2 |
|---|---|
| Molecular Weight | 584.06 g/mol |
| LogP | 6.1654 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 584.06226 |
| Heavy Atoms | 38 |
| Complexity | 1354.3872 |
Chemical Identifiers
| CAS Number | 452089-35-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=NN=C(N3CC=C)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone) (CAS 452089-35-9), with molecular formula C26H22Cl2N6O2S2 and molecular weight 584.06 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[5-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
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-(4-chlorophenyl)ethanone)
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-(4-chlorophenyl)ethanone)
The XLogP value of 6.1654 indicates that 2,2'-((4,4'-diallyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone) 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-(4-chlorophenyl)ethanone). 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-(4-chlorophenyl)ethanone) 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-(4-chlorophenyl)ethanone)?
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-(4-chlorophenyl)ethanone) is 452089-35-9.
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-(4-chlorophenyl)ethanone)?
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-(4-chlorophenyl)ethanone) is C26H22Cl2N6O2S2.
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-(4-chlorophenyl)ethanone)?
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-(4-chlorophenyl)ethanone) is 584.06 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-(4-chlorophenyl)ethanone)?
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-(4-chlorophenyl)ethanone) 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-(4-chlorophenyl)ethanone)?
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-(4-chlorophenyl)ethanone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.