Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate
TL;DR: Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate (CAS 297178-88-2) is a chemical compound with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate
Also Known As: BAS 00315387, ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate, ethyl 1-(5-nitro-2-furoyl)-4-piperidinecarboxylate, VU0510755-1, F3146-2510
| Molecular Formula | C13H16N2O6 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.10083 |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 297178-88-2 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | CFYBVBIJEKTNSZ-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate (CAS 297178-88-2), with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol. IUPAC: ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate
Property Insights of Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 6 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 Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate?
The CAS number of Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate is 297178-88-2.
What is the molecular formula of Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate?
The molecular formula of Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate is C13H16N2O6.
What is the molecular weight of Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate?
The molecular weight of Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate is 296.10 g/mol.
Where can I buy Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate?
You can request a quote for Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.