4-(4-Acetoxyphenyl)nitrobenzene
TL;DR: 4-(4-Acetoxyphenyl)nitrobenzene (CAS 372096-55-4) is a chemical compound with molecular formula C14H11NO4 and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-nitrophenyl)phenyl] acetate
Also Known As: 4-(4-acetoxyphenyl)nitrobenzene, 4'-nitrobiphenyl-4-yl acetate, [4-(4-nitrophenyl)phenyl] acetate, 4'-Nitro[1,1'-biphenyl]-4-yl acetate, 4'-nitro-[1,1'-biphenyl]-4-yl acetate
| Molecular Formula | C14H11NO4 |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.06882 |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 372096-55-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | WWPFQCWHUPBVAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Acetoxyphenyl)nitrobenzene (CAS 372096-55-4), with molecular formula C14H11NO4 and molecular weight 257.07 g/mol. IUPAC: [4-(4-nitrophenyl)phenyl] acetate.
Chemical Property Profile of 4-(4-Acetoxyphenyl)nitrobenzene
Property Insights of 4-(4-Acetoxyphenyl)nitrobenzene
The XLogP value of 3.1 indicates that 4-(4-Acetoxyphenyl)nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Acetoxyphenyl)nitrobenzene. Following Lipinski's Rule of Five, 4-(4-Acetoxyphenyl)nitrobenzene has 0 hydrogen bond donor(s) and 4 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 4-(4-Acetoxyphenyl)nitrobenzene?
The CAS number of 4-(4-Acetoxyphenyl)nitrobenzene is 372096-55-4.
What is the molecular formula of 4-(4-Acetoxyphenyl)nitrobenzene?
The molecular formula of 4-(4-Acetoxyphenyl)nitrobenzene is C14H11NO4.
What is the molecular weight of 4-(4-Acetoxyphenyl)nitrobenzene?
The molecular weight of 4-(4-Acetoxyphenyl)nitrobenzene is 257.07 g/mol.
Where can I buy 4-(4-Acetoxyphenyl)nitrobenzene?
You can request a quote for 4-(4-Acetoxyphenyl)nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Acetoxyphenyl)nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Acetoxyphenyl)nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.