(E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
TL;DR: (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one (CAS 13909-51-8) is a chemical compound with molecular formula C15H10BrNO3 and molecular weight 330.9844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Also Known As: 4-Bromo-4'-nitrochalcon, trans-4-Bromo-4'-nitrochalcone, (E)-4-Bromo-4 -nitrochalcone, (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one, 2-Propen-1-one, 3-(4-bromophenyl)-1-(4-nitrophenyl)-
Technical Specifications
| Molecular Formula | C15H10BrNO3 |
| Molecular Weight | 330.9844 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.9844 Da |
| Heavy Atoms | 20 |
| Complexity | 375.0 |
| SMILES | C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br |
| InChIKey | YFLUWJRKMBXCSC-XCVCLJGOSA-N |
Chemical Property Profile of (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Property Insights of (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
The XLogP value of 3.6 indicates that (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one?
The CAS number of (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one is 13909-51-8.
What is the molecular formula of (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one?
The molecular formula of (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one is C15H10BrNO3.
What is the molecular weight of (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one?
The molecular weight of (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one is 330.9844 g/mol.
Where can I buy (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one?
You can request a quote for (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (E)-3-(4-bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.