Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate (CAS 577695-17-1) is a chemical compound with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate
Also Known As: ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate, ethyl 4-(3-oxohydroisobenzofuranyl)piperazinecarboxylate, ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate, ethyl 4-(3-oxo-1,3-dihydroisobenzofuran-1-yl)piperazine-1-carboxylate
| Molecular Formula | C15H18N2O4 |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.12665 |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 577695-17-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2C3=CC=CC=C3C(=O)O2 |
| InChIKey | RNLBLHKWAIISER-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate (CAS 577695-17-1), with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol. IUPAC: ethyl 4-(3-oxo-1H-2-benzofuran-1-yl)piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 59.1 Ų, Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)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-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate is 577695-17-1.
What is the molecular formula of Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate is C15H18N2O4.
What is the molecular weight of Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate is 290.13 g/mol.
Where can I buy Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-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-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.