Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate (CAS 435281-93-9) is a chemical compound with molecular formula C13H18N2O3S and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
Also Known As: BAS 06980965, ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate, ethyl 4-(thiophen-2-ylacetyl)piperazine-1-carboxylate, 4-(2-Thiophen-2-yl-acetyl)-piperazine-1-carboxylic acid ethyl ester, ETHYL 4-[2-(2-THIENYL)ACETYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
| Molecular Formula | C13H18N2O3S |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.10382 |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 435281-93-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CC2=CC=CS2 |
| InChIKey | CRHOAJUSHPAKBE-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate (CAS 435281-93-9), with molecular formula C13H18N2O3S and molecular weight 282.10 g/mol. IUPAC: ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(2-thiophen-2-ylacetyl)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-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate is 435281-93-9.
What is the molecular formula of Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate is C13H18N2O3S.
What is the molecular weight of Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate is 282.10 g/mol.
Where can I buy Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(2-thiophen-2-ylacetyl)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-thiophen-2-ylacetyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-thiophen-2-ylacetyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.