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Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate (CAS 693232-99-4) is a chemical compound with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate, ethyl 4-((4-phenoxyphenyl)carbamothioyl)piperazine-1-carboxylate, ethyl 4-{[(4-phenoxyphenyl)amino]thioxomethyl}piperazinecarboxylate, ETHYL 4-[(4-PHENOXYANILINO)CARBOTHIOYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
| Molecular Formula | C20H23N3O3S |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 3.9498 |
| Topological Polar Surface Area | 54.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.14603 |
| Heavy Atoms | 27 |
| Complexity | 759.8012 |
Chemical Identifiers
| CAS Number | 693232-99-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3 |
Product Overview
Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate (CAS 693232-99-4), with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol. IUPAC: ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate
The XLogP value of 3.9498 indicates that Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.04 Ų, Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate has 1 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-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate is 693232-99-4.
What is the molecular formula of Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate is C20H23N3O3S.
What is the molecular weight of Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate is 385.15 g/mol.
Where can I buy Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]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-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-phenoxyphenyl)carbamothioyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.