Ethyl 4-carbamimidoylpiperazine-1-carboxylate
TL;DR: Ethyl 4-carbamimidoylpiperazine-1-carboxylate (CAS 63981-39-5) is a chemical compound with molecular formula C8H16N4O2 and molecular weight 200.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-carbamimidoylpiperazine-1-carboxylate
Also Known As: Ethyl 4-carbamimidoylpiperazine-1-carboxylate, ethyl 4-amidinopiperazinecarboxylate, 4-Carbamimidoyl-Piperazine-1-Carboxylic Acid Ethyl Ester, Ethyl4-carbamimidoylpiperazine-1-carboxylate, I14-13627
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16N4O2 |
| Molecular Weight | 200.12732 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.12732 Da |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
| SMILES | CCOC(=O)N1CCN(CC1)C(=N)N |
| InChIKey | KHDJJENVIFJHSD-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-carbamimidoylpiperazine-1-carboxylate
Property Insights of Ethyl 4-carbamimidoylpiperazine-1-carboxylate
The XLogP value of -0.7 indicates that Ethyl 4-carbamimidoylpiperazine-1-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-carbamimidoylpiperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-carbamimidoylpiperazine-1-carboxylate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4-carbamimidoylpiperazine-1-carboxylate?
The CAS number of Ethyl 4-carbamimidoylpiperazine-1-carboxylate is 63981-39-5.
What is the molecular formula of Ethyl 4-carbamimidoylpiperazine-1-carboxylate?
The molecular formula of Ethyl 4-carbamimidoylpiperazine-1-carboxylate is C8H16N4O2.
What is the molecular weight of Ethyl 4-carbamimidoylpiperazine-1-carboxylate?
The molecular weight of Ethyl 4-carbamimidoylpiperazine-1-carboxylate is 200.12732 g/mol.
Where can I buy Ethyl 4-carbamimidoylpiperazine-1-carboxylate?
You can request a quote for Ethyl 4-carbamimidoylpiperazine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-carbamimidoylpiperazine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-carbamimidoylpiperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.