3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone
TL;DR: 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone (CAS 116686-85-2) is a chemical compound with molecular formula C14H9F2NO4 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2,4-difluorophenoxy)-4-nitrophenyl]ethanone
Also Known As: 3'-(2,4-difluorophenoxy)-4'-nitroacetophenone, 1-[3-(2,4-difluorophenoxy)-4-nitrophenyl]ethanone, 1-[3-(2,4-difluorophenoxy)-4-nitro-phenyl]ethanone, 1-[3-(2,4-Difluorophenoxy)-4-nitrophenyl]ethan-1-one
| Molecular Formula | C14H9F2NO4 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 3.8679 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.04996 |
| Heavy Atoms | 21 |
| Complexity | 730.9091 |
Chemical Identifiers
| CAS Number | 116686-85-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)F)F |
Product Overview
3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone (CAS 116686-85-2), with molecular formula C14H9F2NO4 and molecular weight 293.05 g/mol. IUPAC: 1-[3-(2,4-difluorophenoxy)-4-nitrophenyl]ethanone.
Chemical Property Profile of 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone
Property Insights of 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone
The XLogP value of 3.8679 indicates that 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone. Following Lipinski's Rule of Five, 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone 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 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone?
The CAS number of 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone is 116686-85-2.
What is the molecular formula of 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone?
The molecular formula of 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone is C14H9F2NO4.
What is the molecular weight of 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone?
The molecular weight of 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone is 293.05 g/mol.
Where can I buy 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone?
You can request a quote for 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-(2,4-Difluorophenoxy)-4'-nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.