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Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate (CAS 385404-03-5) is a chemical compound with molecular formula C13H16F3N3O2 and molecular weight 303.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
Also Known As: IFLab1_003993, ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate, ethyl 4-(5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate, ethyl 4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxylate, ethyl 4-[5-(trifluoromethyl)-2-pyridyl]piperazinecarboxylate
| Molecular Formula | C13H16F3N3O2 |
|---|---|
| Molecular Weight | 303.12 g/mol |
| LogP | 2.3789 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.11948 |
| Heavy Atoms | 21 |
| Complexity | 482.43 |
Chemical Identifiers
| CAS Number | 385404-03-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F |
Product Overview
Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate (CAS 385404-03-5), with molecular formula C13H16F3N3O2 and molecular weight 303.12 g/mol. IUPAC: ethyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
The XLogP value of 2.3789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 45.67 Ų, Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate 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 Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate is 385404-03-5.
What is the molecular formula of Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate is C13H16F3N3O2.
What is the molecular weight of Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate is 303.12 g/mol.
Where can I buy Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]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-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.