4-Acetyl-2'-nitrobiphenyl
TL;DR: 4-Acetyl-2'-nitrobiphenyl (CAS 5730-96-1) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-nitrophenyl)phenyl]ethanone
Also Known As: 4-Acetyl-2'-nitrobiphenyl, 2'-Nitro-4-acetylbiphenyl, NCIOpen2_005209, 1- ETHAN-1-ONE, 2-Nitro-4 -acetylbiphenyl
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 5730-96-1 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | MTZQSMJVDMLVAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetyl-2'-nitrobiphenyl (CAS 5730-96-1), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: 1-[4-(2-nitrophenyl)phenyl]ethanone.
Chemical Property Profile of 4-Acetyl-2'-nitrobiphenyl
Property Insights of 4-Acetyl-2'-nitrobiphenyl
The XLogP value of 3.1 indicates that 4-Acetyl-2'-nitrobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-2'-nitrobiphenyl. Following Lipinski's Rule of Five, 4-Acetyl-2'-nitrobiphenyl has 0 hydrogen bond donor(s) and 3 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-Acetyl-2'-nitrobiphenyl?
The CAS number of 4-Acetyl-2'-nitrobiphenyl is 5730-96-1.
What is the molecular formula of 4-Acetyl-2'-nitrobiphenyl?
The molecular formula of 4-Acetyl-2'-nitrobiphenyl is C14H11NO3.
What is the molecular weight of 4-Acetyl-2'-nitrobiphenyl?
The molecular weight of 4-Acetyl-2'-nitrobiphenyl is 241.07 g/mol.
Where can I buy 4-Acetyl-2'-nitrobiphenyl?
You can request a quote for 4-Acetyl-2'-nitrobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-2'-nitrobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-2'-nitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.