5-硝基呋喃-2-丙烯醛
TL;DR: 5-硝基呋喃-2-丙烯醛 (CAS 52661-56-0) is a chemical compound with molecular formula C7H5NO4 and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-硝基呋喃-2-丙烯醛
3-(5-nitrofuran-2-yl)prop-2-enal
Also Known As: 5-Nitrofuran-2-acrylaldehyde, (E)-3-(5-Nitrofuran-2-yl)acrylaldehyde, 3-(5-nitrofuran-2-yl)prop-2-enal, 3-(5-Nitrofuran-2-yl)acrylaldehyde, 3-(5-nitro-2-furanyl)-propenal
| Molecular Formula | C7H5NO4 |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.02185 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 52661-56-0 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C=CC=O |
| InChIKey | DXWCZMGIIFEEPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-硝基呋喃-2-丙烯醛 (CAS 52661-56-0), with molecular formula C7H5NO4 and molecular weight 167.02 g/mol. IUPAC: 3-(5-nitrofuran-2-yl)prop-2-enal.
Chemical Property Profile of 5-硝基呋喃-2-丙烯醛
Property Insights of 5-硝基呋喃-2-丙烯醛
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-硝基呋喃-2-丙烯醛. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-硝基呋喃-2-丙烯醛. Following Lipinski's Rule of Five, 5-硝基呋喃-2-丙烯醛 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 5-硝基呋喃-2-丙烯醛?
The CAS number of 5-硝基呋喃-2-丙烯醛 is 52661-56-0.
What is the molecular formula of 5-硝基呋喃-2-丙烯醛?
The molecular formula of 5-硝基呋喃-2-丙烯醛 is C7H5NO4.
What is the molecular weight of 5-硝基呋喃-2-丙烯醛?
The molecular weight of 5-硝基呋喃-2-丙烯醛 is 167.02 g/mol.
Where can I buy 5-硝基呋喃-2-丙烯醛?
You can request a quote for 5-硝基呋喃-2-丙烯醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-硝基呋喃-2-丙烯醛?
Yes, KEHONG BIO provides custom synthesis services for 5-硝基呋喃-2-丙烯醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.