Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate (CAS 497060-76-1) is a chemical compound with molecular formula C15H21N3O2S and molecular weight 307.13544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate
Also Known As: ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate, ETHYL 4-((BENZYLAMINO)THIOXOMETHYL)PIPERAZINECARBOXYLATE, AO-990/15068174, ethyl 4-[(benzylamino)carbothioyl]-1-piperazinecarboxylate, ethyl4-(benzylcarbamothioyl)piperazine-1-carboxylate
Technical Specifications
| Molecular Formula | C15H21N3O2S |
| Molecular Weight | 307.13544 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.13544 Da |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
| SMILES | CCOC(=O)N1CCN(CC1)C(=S)NCC2=CC=CC=C2 |
| InChIKey | LASLEJLXLGRLIE-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate has 1 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-(benzylcarbamothioyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate is 497060-76-1.
What is the molecular formula of Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate is C15H21N3O2S.
What is the molecular weight of Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate is 307.13544 g/mol.
Where can I buy Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(benzylcarbamothioyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.