1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone
TL;DR: 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone (CAS 477334-13-7) is a chemical compound with molecular formula C21H18N2O4 and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-3-(4-phenoxyanilino)propan-1-one
Also Known As: 1-(3-nitrophenyl)-3-(4-phenoxyanilino)-1-propanone, 1-(3-Nitrophenyl)-3-((4-phenoxyphenyl)amino)propan-1-one, 1-(3-nitrophenyl)-3-(4-phenoxyanilino)propan-1-one, 1-(3-nitrophenyl)-3-[(4-phenoxyphenyl)amino]propan-1-one, 651-065-2
| Molecular Formula | C21H18N2O4 |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 5.072 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.12665 |
| Heavy Atoms | 27 |
| Complexity | 924.42633 |
Chemical Identifiers
| CAS Number | 477334-13-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)NCCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone (CAS 477334-13-7), with molecular formula C21H18N2O4 and molecular weight 362.13 g/mol. IUPAC: 1-(3-nitrophenyl)-3-(4-phenoxyanilino)propan-1-one.
Chemical Property Profile of 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone
Property Insights of 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone
The XLogP value of 5.072 indicates that 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-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 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone. Following Lipinski's Rule of Five, 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone 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-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone?
The CAS number of 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone is 477334-13-7.
What is the molecular formula of 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone?
The molecular formula of 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone is C21H18N2O4.
What is the molecular weight of 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone?
The molecular weight of 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone is 362.13 g/mol.
Where can I buy 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone?
You can request a quote for 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitrophenyl)-3-(4-phenoxyanilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.