2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone)
TL;DR: 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone) (CAS 500267-63-0) is a chemical compound with molecular formula C25H24F2N6O2S2 and molecular weight 542.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[[4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone), F1259-0042, 2-({4-ethyl-5-[(4-ethyl-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-fluorophenyl)ethan-1-one, 2-[[4-ethyl-5-[[4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone, 2,2'-{methanediylbis[(4-ethyl-4H-1,2,4-triazole-5,3-diyl)sulfanediyl]}bis[1-(4-fluorophenyl)ethanone]
| Molecular Formula | C25H24F2N6O2S2 |
|---|---|
| Molecular Weight | 542.14 g/mol |
| LogP | 4.7284 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 542.137 |
| Heavy Atoms | 37 |
| Complexity | 1281.6902 |
Chemical Identifiers
| CAS Number | 500267-63-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)CC3=NN=C(N3CC)SCC(=O)C4=CC=C(C=C4)F |
Product Overview
2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone) (CAS 500267-63-0), with molecular formula C25H24F2N6O2S2 and molecular weight 542.14 g/mol. IUPAC: 2-[[4-ethyl-5-[[4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone)
Property Insights of 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone)
The XLogP value of 4.7284 indicates that 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)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-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone). Following Lipinski's Rule of Five, 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)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-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone)?
The CAS number of 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone) is 500267-63-0.
What is the molecular formula of 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone)?
The molecular formula of 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone) is C25H24F2N6O2S2.
What is the molecular weight of 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone)?
The molecular weight of 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone) is 542.14 g/mol.
Where can I buy 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone)?
You can request a quote for 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)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-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-((5,5'-methylenebis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.