1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone
TL;DR: 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone (CAS 111946-84-0) is a chemical compound with molecular formula C14H10BrNO4 and molecular weight 334.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-(4-nitrophenoxy)ethanone
Also Known As: 1-(4-bromophenyl)-2-(4-nitrophenoxy)ethanone, 2,3-Difluoro-5-nitrophenol, CHEMBRDG-BB 5211655, Ethanone, 1-(4-bromophenyl)-2-(4-nitrophenoxy)-, 1-(4-bromophenyl)-2-(4-nitrophenoxy)ethan-1-one
| Molecular Formula | C14H10BrNO4 |
|---|---|
| Molecular Weight | 334.98 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.9793 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 111946-84-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])Br |
| InChIKey | KALGVWATZJIXGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone (CAS 111946-84-0), with molecular formula C14H10BrNO4 and molecular weight 334.98 g/mol. IUPAC: 1-(4-bromophenyl)-2-(4-nitrophenoxy)ethanone.
Chemical Property Profile of 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone
Property Insights of 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone
The XLogP value of 3.8 indicates that 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone 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 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone 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 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone?
The CAS number of 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone is 111946-84-0.
What is the molecular formula of 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone?
The molecular formula of 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone is C14H10BrNO4.
What is the molecular weight of 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone?
The molecular weight of 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone is 334.98 g/mol.
Where can I buy 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone?
You can request a quote for 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-2-(4-nitrophenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.