3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one
TL;DR: 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one (CAS 959-76-2) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one
Also Known As: 1-[3-(5-nitro-[2]furyl)-acryloyl]-piperidine, 3-(5-nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 2.2135 |
| Topological Polar Surface Area | 76.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 472.17688 |
Chemical Identifiers
| CAS Number | 959-76-2 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)C=CC2=CC=C(O2)[N+](=O)[O-] |
Product Overview
3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one (CAS 959-76-2), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: 3-(5-nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one.
Chemical Property Profile of 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one
Property Insights of 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one
The XLogP value of 2.2135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one. The TPSA of 76.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one. Following Lipinski's Rule of Five, 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-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-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
The CAS number of 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one is 959-76-2.
What is the molecular formula of 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
The molecular formula of 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one is C12H14N2O4.
What is the molecular weight of 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
The molecular weight of 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one is 250.10 g/mol.
Where can I buy 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
You can request a quote for 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-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-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Nitrofuran-2-yl)-1-piperidin-1-ylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.