Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate (CAS 198705-01-0) is a chemical compound with molecular formula C11H18N2O4 and molecular weight 242.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate
Also Known As: ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate, ethyl 4-acetoacetylpiperazine-1-carboxylate, J2.688.101C, 4-(1,3-Dioxobutyl)piperazine-1-carboxylic acid ethyl ester
| Molecular Formula | C11H18N2O4 |
|---|---|
| Molecular Weight | 242.13 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.12666 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 198705-01-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CC(=O)C |
| InChIKey | HEGGHBXYHUEJGY-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate (CAS 198705-01-0), with molecular formula C11H18N2O4 and molecular weight 242.13 g/mol. IUPAC: ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate
The XLogP value of -0.4 indicates that Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(3-oxobutanoyl)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-(3-oxobutanoyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate is 198705-01-0.
What is the molecular formula of Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate is C11H18N2O4.
What is the molecular weight of Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate is 242.13 g/mol.
Where can I buy Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(3-oxobutanoyl)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-oxobutanoyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-oxobutanoyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.