2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone)
TL;DR: 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone) (CAS 452089-25-7) is a chemical compound with molecular formula C27H24Cl2N6O2S2 and molecular weight 598.08 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]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone), F1044-0019, 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)methyl]-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]methyl]-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)}methyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthio)]ethan-1-one
| Molecular Formula | C27H24Cl2N6O2S2 |
|---|---|
| Molecular Weight | 598.08 g/mol |
| LogP | 6.0892 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 598.07794 |
| Heavy Atoms | 39 |
| Complexity | 1371.4326 |
Chemical Identifiers
| CAS Number | 452089-25-7 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)CC3=NN=C(N3CC=C)SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone) (CAS 452089-25-7), with molecular formula C27H24Cl2N6O2S2 and molecular weight 598.08 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]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone)
Property Insights of 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone)
The XLogP value of 6.0892 indicates that 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-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'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone). Following Lipinski's Rule of Five, 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-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'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone)?
The CAS number of 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone) is 452089-25-7.
What is the molecular formula of 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone)?
The molecular formula of 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone) is C27H24Cl2N6O2S2.
What is the molecular weight of 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone)?
The molecular weight of 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone) is 598.08 g/mol.
Where can I buy 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone)?
You can request a quote for 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-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'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-((5,5'-methylenebis(4-allyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-chlorophenyl)ethanone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.