3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone
TL;DR: 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone (CAS 477320-03-9) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyanilino)-1-(3-nitrophenyl)propan-1-one
Also Known As: 3-(4-ethoxyanilino)-1-(3-nitrophenyl)-1-propanone, 3-(4-ethoxyanilino)-1-(3-nitrophenyl)propan-1-one, 3-((4-Ethoxyphenyl)amino)-1-(3-nitrophenyl)propan-1-one, 3-[(4-Ethoxyphenyl)amino]-1-(3-nitrophenyl)-1-propanone, 3-[(4-ethoxyphenyl)amino]-1-(3-nitrophenyl)propan-1-one
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.6784 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 683.2477 |
Chemical Identifiers
| CAS Number | 477320-03-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NCCC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone (CAS 477320-03-9), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: 3-(4-ethoxyanilino)-1-(3-nitrophenyl)propan-1-one.
Chemical Property Profile of 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone
Property Insights of 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone
The XLogP value of 3.6784 indicates that 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone 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 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone. Following Lipinski's Rule of Five, 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone has 1 hydrogen bond donor(s) and 5 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-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone?
The CAS number of 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone is 477320-03-9.
What is the molecular formula of 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone?
The molecular formula of 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone is C17H18N2O4.
What is the molecular weight of 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone?
The molecular weight of 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone is 314.13 g/mol.
Where can I buy 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone?
You can request a quote for 3-(4-Ethoxyanilino)-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-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethoxyanilino)-1-(3-nitrophenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.