1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione
TL;DR: 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione (CAS 47057-64-7) is a chemical compound with molecular formula C15H11NO4 and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitrophenyl)-3-phenylpropane-1,3-dione
Also Known As: o-Nitrobenzoyl-benzoylmethan, 1-(2-nitrophenyl)-3-phenylpropane-1,3-dione, 1-{2-nitrophenyl}-3-phenyl-1,3-propanedione, AE-562/12222205, J3.023.102C
| Molecular Formula | C15H11NO4 |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 3.0505 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.06882 |
| Heavy Atoms | 20 |
| Complexity | 664.58356 |
Chemical Identifiers
| CAS Number | 47057-64-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione (CAS 47057-64-7), with molecular formula C15H11NO4 and molecular weight 269.07 g/mol. IUPAC: 1-(2-nitrophenyl)-3-phenylpropane-1,3-dione.
Chemical Property Profile of 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione
Property Insights of 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione
The XLogP value of 3.0505 indicates that 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione. Following Lipinski's Rule of Five, 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione has 0 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 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione?
The CAS number of 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione is 47057-64-7.
What is the molecular formula of 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione?
The molecular formula of 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione is C15H11NO4.
What is the molecular weight of 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione?
The molecular weight of 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione is 269.07 g/mol.
Where can I buy 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione?
You can request a quote for 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Nitrophenyl)-3-phenylpropane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.