![1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene structure](/static/products/951/95124-70-2.png)
1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene
TL;DR: 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene (CAS 95124-70-2) is a chemical compound with molecular formula C18H16N2O6S2 and molecular weight 420.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-(4-acetyl-2-nitrophenyl)sulfanylethylsulfanyl]-3-nitrophenyl]ethanone
Also Known As: Acetophenone, 4',4'''-(ethylenedithio)bis[3'-nitro-, 1-acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene, Acetophenone, 4a(2),4a(2)a(2)a(2)-(ethylenedithio)bis[3a(2)-nitro-, 1,1'-{Ethane-1,2-diylbis[sulfanediyl(3-nitro-4,1-phenylene)]}di(ethan-1-one), 1-[4-[2-(4-acetyl-2-nitro-phenyl)sulfanylethylsulfanyl]-3-nitro-phenyl]ethanone
| Molecular Formula | C18H16N2O6S2 |
|---|---|
| Molecular Weight | 420.04 g/mol |
| LogP | 4.7926 |
| Topological Polar Surface Area | 120.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.04498 |
| Heavy Atoms | 28 |
| Complexity | 883.58716 |
Chemical Identifiers
| CAS Number | 95124-70-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)SCCSC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene (CAS 95124-70-2), with molecular formula C18H16N2O6S2 and molecular weight 420.04 g/mol. IUPAC: 1-[4-[2-(4-acetyl-2-nitrophenyl)sulfanylethylsulfanyl]-3-nitrophenyl]ethanone.
Chemical Property Profile of 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene
Property Insights of 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene
The XLogP value of 4.7926 indicates that 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene. Following Lipinski's Rule of Five, 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene?
The CAS number of 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene is 95124-70-2.
What is the molecular formula of 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene?
The molecular formula of 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene is C18H16N2O6S2.
What is the molecular weight of 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene?
The molecular weight of 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene is 420.04 g/mol.
Where can I buy 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene?
You can request a quote for 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-4-[2-(4-acetyl-2-nitrophenylthio)ethylthio]-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.