3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone
TL;DR: 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone (CAS 477320-44-8) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethylanilino)-1-(3-nitrophenyl)propan-1-one
Also Known As: 3-(4-ETHYLANILINO)-1-(3-NITROPHENYL)-1-PROPANONE, 3-(4-ethylanilino)-1-(3-nitrophenyl)propan-1-one, 3-[(4-Ethylphenyl)amino]-1-(3-nitrophenyl)-1-propanone, 3-((4-Ethylphenyl)amino)-1-(3-nitrophenyl)-1-propanone, 3-[(4-ethylphenyl)amino]-1-(3-nitrophenyl)propan-1-one
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 3.8421 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 665.8592 |
Chemical Identifiers
| CAS Number | 477320-44-8 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone (CAS 477320-44-8), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: 3-(4-ethylanilino)-1-(3-nitrophenyl)propan-1-one.
Chemical Property Profile of 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone
Property Insights of 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone
The XLogP value of 3.8421 indicates that 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone. Following Lipinski's Rule of Five, 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone has 1 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-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone?
The CAS number of 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone is 477320-44-8.
What is the molecular formula of 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone?
The molecular formula of 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone is C17H18N2O3.
What is the molecular weight of 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone?
The molecular weight of 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone is 298.13 g/mol.
Where can I buy 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone?
You can request a quote for 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethylanilino)-1-(3-nitrophenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.