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Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate (CAS 5860-68-4) is a chemical compound with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate, BIM-0035374.P001, AJ-292/14694028, ethyl 4-[4-(phenylethynyl)benzoyl]-1-piperazinecarboxylate, Ethyl 4-[4-(phenylethynyl)benzoyl]piperazine-1-carboxylate
| Molecular Formula | C22H22N2O3 |
|---|---|
| Molecular Weight | 362.16 g/mol |
| LogP | 3.0007 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.16306 |
| Heavy Atoms | 27 |
| Complexity | 842.62177 |
Chemical Identifiers
| CAS Number | 5860-68-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3 |
Product Overview
Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate (CAS 5860-68-4), with molecular formula C22H22N2O3 and molecular weight 362.16 g/mol. IUPAC: ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate
The XLogP value of 3.0007 indicates that Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 3 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-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate is 5860-68-4.
What is the molecular formula of Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate is C22H22N2O3.
What is the molecular weight of Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate is 362.16 g/mol.
Where can I buy Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[4-(2-phenylethynyl)benzoyl]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-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[4-(2-phenylethynyl)benzoyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.