Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate
TL;DR: Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate (CAS 886360-74-3) is a chemical compound with molecular formula C16H20N2O6 and molecular weight 336.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-methoxycarbonyl-4-nitrophenyl)piperidine-4-carboxylate
Also Known As: ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate, Ethyl 1-(2-(methoxycarbonyl)-4-nitrophenyl)piperidine-4-carboxylate, ethyl 1-(2-methoxycarbonyl-4-nitrophenyl)piperidine-4-carboxylate, 7W-0333, ethylmethoxycarbonylnitrophenylpiperidinecarboxylate
| Molecular Formula | C16H20N2O6 |
|---|---|
| Molecular Weight | 336.13 g/mol |
| LogP | 2.1609 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.13214 |
| Heavy Atoms | 24 |
| Complexity | 637.45483 |
Chemical Identifiers
| CAS Number | 886360-74-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate (CAS 886360-74-3), with molecular formula C16H20N2O6 and molecular weight 336.13 g/mol. IUPAC: ethyl 1-(2-methoxycarbonyl-4-nitrophenyl)piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate
Property Insights of Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate
The XLogP value of 2.1609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate has 0 hydrogen bond donor(s) and 7 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-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate?
The CAS number of Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate is 886360-74-3.
What is the molecular formula of Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate?
The molecular formula of Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate is C16H20N2O6.
What is the molecular weight of Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate?
The molecular weight of Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate is 336.13 g/mol.
Where can I buy Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate?
You can request a quote for Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[2-(methoxycarbonyl)-4-nitrophenyl]-4-piperidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.