![1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one structure](/static/products/4780/478046-53-6.webp)
1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one
TL;DR: 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one (CAS 478046-53-6) is a chemical compound with molecular formula C22H16ClFN2O4 and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one
Also Known As: (E)-1-{3-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(3-nitroanilino)-2-propen-1-one, 1-[3-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]-3-[(3-nitrophenyl)amino]prop-2-en-1-one, 1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one
| Molecular Formula | C22H16ClFN2O4 |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 5.7748 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.07828 |
| Heavy Atoms | 30 |
| Complexity | 1097.5466 |
Chemical Identifiers
| CAS Number | 478046-53-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC2=C(C=CC=C2Cl)F)C(=O)C=CNC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one (CAS 478046-53-6), with molecular formula C22H16ClFN2O4 and molecular weight 426.08 g/mol. IUPAC: 1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one.
Chemical Property Profile of 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one
Property Insights of 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one
The XLogP value of 5.7748 indicates that 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one. Following Lipinski's Rule of Five, 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one?
The CAS number of 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one is 478046-53-6.
What is the molecular formula of 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one?
The molecular formula of 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one is C22H16ClFN2O4.
What is the molecular weight of 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one?
The molecular weight of 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one is 426.08 g/mol.
Where can I buy 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one?
You can request a quote for 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-[(2-Chloro-6-fluorophenyl)methoxy]phenyl]-3-(3-nitroanilino)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.