![1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone structure](/static/products/3967/39679-58-8.webp)
1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone
TL;DR: 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone (CAS 39679-58-8) is a chemical compound with molecular formula C22H14N2O9 and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyl-4-(4-nitrobenzoyl)oxyphenyl] 4-nitrobenzoate
Also Known As: 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone, 2-Acetyl-1,4-phenylene bis(4-nitrobenzoate), [3-acetyl-4-(4-nitrobenzoyl)oxyphenyl] 4-nitrobenzoate, [2-acetyl-4-(4-nitrobenzoyl)oxy-phenyl] 4-nitrobenzoate
| Molecular Formula | C22H14N2O9 |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 4.144 |
| Topological Polar Surface Area | 155.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.06992 |
| Heavy Atoms | 33 |
| Complexity | 1266.0289 |
Chemical Identifiers
| CAS Number | 39679-58-8 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone (CAS 39679-58-8), with molecular formula C22H14N2O9 and molecular weight 450.07 g/mol. IUPAC: [3-acetyl-4-(4-nitrobenzoyl)oxyphenyl] 4-nitrobenzoate.
Chemical Property Profile of 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone
Property Insights of 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone
The XLogP value of 4.144 indicates that 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.95 Ų indicates high polarity, suggesting 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone has 0 hydrogen bond donor(s) and 9 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-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone?
The CAS number of 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone is 39679-58-8.
What is the molecular formula of 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone?
The molecular formula of 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone is C22H14N2O9.
What is the molecular weight of 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone?
The molecular weight of 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone is 450.07 g/mol.
Where can I buy 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone?
You can request a quote for 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[2,5-Bis[(4-nitrobenzoyl)oxy]phenyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.