3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one
TL;DR: 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one (CAS 77604-98-9) is a chemical compound with molecular formula C13H8BrNO4 and molecular weight 320.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one
Also Known As: 3-(4-bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one, 3-(4-bromophenyl)-1-(5-nitro-2-furyl)prop-2-en-1-one, 2-Propen-1-one, 3-(4-bromophenyl)-1-(5-nitro-2-furanyl)-
| Molecular Formula | C13H8BrNO4 |
|---|---|
| Molecular Weight | 320.96 g/mol |
| LogP | 3.8464 |
| Topological Polar Surface Area | 73.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.96368 |
| Heavy Atoms | 19 |
| Complexity | 642.9178 |
Chemical Identifiers
| CAS Number | 77604-98-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)C2=CC=C(O2)[N+](=O)[O-])Br |
Product Overview
3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one (CAS 77604-98-9), with molecular formula C13H8BrNO4 and molecular weight 320.96 g/mol. IUPAC: 3-(4-bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one.
Chemical Property Profile of 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one
Property Insights of 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one
The XLogP value of 3.8464 indicates that 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one 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 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one?
The CAS number of 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one is 77604-98-9.
What is the molecular formula of 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one?
The molecular formula of 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one is C13H8BrNO4.
What is the molecular weight of 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one?
The molecular weight of 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one is 320.96 g/mol.
Where can I buy 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one?
You can request a quote for 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.