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Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate
TL;DR: Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate (CAS 610259-53-5) is a chemical compound with molecular formula C15H17F3N2O4 and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate
Also Known As: Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate, Ethyl 1-(2-nitro-4-(trifluoromethyl)phenyl)piperidine-4-carboxylate, ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]-piperidine-4-carboxylate, ethyl 1-(4-(trifluoromethyl)-2-nitrophenyl)piperidine-4-carboxylate, Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylate
| Molecular Formula | C15H17F3N2O4 |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 3.3931 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.11404 |
| Heavy Atoms | 24 |
| Complexity | 625.63544 |
Chemical Identifiers
| CAS Number | 610259-53-5 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate (CAS 610259-53-5), with molecular formula C15H17F3N2O4 and molecular weight 346.11 g/mol. IUPAC: ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate
Property Insights of Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate
The XLogP value of 3.3931 indicates that Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 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-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
The CAS number of Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate is 610259-53-5.
What is the molecular formula of Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
The molecular formula of Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate is C15H17F3N2O4.
What is the molecular weight of Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
The molecular weight of Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate is 346.11 g/mol.
Where can I buy Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
You can request a quote for Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]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-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.