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Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate (CAS 402946-94-5) is a chemical compound with molecular formula C14H16F3N3O4 and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate, F0869-0010, ethyl 4-(2-nitro-4-(trifluoromethyl)phenyl)piperazine-1-carboxylate, ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboxylate, ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazinecarboxylate
| Molecular Formula | C14H16F3N3O4 |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 2.8921 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.10928 |
| Heavy Atoms | 24 |
| Complexity | 628.18097 |
Chemical Identifiers
| CAS Number | 402946-94-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate (CAS 402946-94-5), with molecular formula C14H16F3N3O4 and molecular weight 347.11 g/mol. IUPAC: ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate
The XLogP value of 2.8921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-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 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate is 402946-94-5.
What is the molecular formula of Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate is C14H16F3N3O4.
What is the molecular weight of Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate is 347.11 g/mol.
Where can I buy Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.