1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione
TL;DR: 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione (CAS 61335-18-0) 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-(4-nitrophenyl)-3-phenylpropane-1,3-dione
Also Known As: p-Nitrodibenzoylmethan, 1-(4-nitrophenyl)-3-phenylpropane-1,3-dione, 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione, benzyl(triethyl)azanium,iodide, 1-(4-Nitrophenyl)-3-phenyl-1,3-propanedione
| Molecular Formula | C15H11NO4 |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.06882 |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 61335-18-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | MIVNAJMLVLKIJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione (CAS 61335-18-0), with molecular formula C15H11NO4 and molecular weight 269.07 g/mol. IUPAC: 1-(4-nitrophenyl)-3-phenylpropane-1,3-dione.
Chemical Property Profile of 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione
Property Insights of 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione. Following Lipinski's Rule of Five, 1-(4-Nitro-phenyl)-3-phenyl-propane-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-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione?
The CAS number of 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione is 61335-18-0.
What is the molecular formula of 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione?
The molecular formula of 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione is C15H11NO4.
What is the molecular weight of 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione?
The molecular weight of 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione is 269.07 g/mol.
Where can I buy 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione?
You can request a quote for 1-(4-Nitro-phenyl)-3-phenyl-propane-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-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitro-phenyl)-3-phenyl-propane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.