1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone
TL;DR: 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone (CAS 33527-91-2) is a chemical compound with molecular formula C18H15Cl3N2O5 and molecular weight 444.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-[4-[[1-ethoxy-2-(4-nitrophenyl)-2-oxoethyl]amino]phenyl]ethanone
Also Known As: 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone, 2,2,2-trichloro-1-(4-{[1-ethoxy-2-(4-nitrophenyl)-2-oxoethyl]amino}phenyl)ethanone, Ethanone, 1-(4-((1-ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloro-, 2,2,2-trichloro-1-[4-[[1-ethoxy-2-(4-nitrophenyl)-2-oxoethyl]amino]phenyl]ethanone, 2,2,2-Trichloro-1-(4-{[1-ethoxy-2-(4-nitrophenyl)-2-oxoethyl]amino}phenyl)ethan-1-one
| Molecular Formula | C18H15Cl3N2O5 |
|---|---|
| Molecular Weight | 444.00 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.00467 |
| Heavy Atoms | 28 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 33527-91-2 |
|---|---|
| SMILES | CCOC(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)C(Cl)(Cl)Cl |
| InChIKey | NJPYLDDMJMGEFV-UHFFFAOYSA-N |
Product Overview
1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone (CAS 33527-91-2), with molecular formula C18H15Cl3N2O5 and molecular weight 444.00 g/mol. IUPAC: 2,2,2-trichloro-1-[4-[[1-ethoxy-2-(4-nitrophenyl)-2-oxoethyl]amino]phenyl]ethanone.
Chemical Property Profile of 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone
Property Insights of 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone
The XLogP value of 5.0 indicates that 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone. Following Lipinski's Rule of Five, 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone has 1 hydrogen bond donor(s) and 6 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-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone?
The CAS number of 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone is 33527-91-2.
What is the molecular formula of 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone?
The molecular formula of 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone is C18H15Cl3N2O5.
What is the molecular weight of 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone?
The molecular weight of 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone is 444.00 g/mol.
Where can I buy 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone?
You can request a quote for 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-((1-Ethoxy-2-(4-nitrophenyl)-2-oxoethyl)amino)phenyl)-2,2,2-trichloroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.