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Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate (CAS 693239-83-7) is a chemical compound with molecular formula C16H23N3O4S and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate, ethyl 4-((2,5-dimethoxyphenyl)carbamothioyl)piperazine-1-carboxylate, ethyl 4-{[(2,5-dimethoxyphenyl)amino]thioxomethyl}piperazinecarboxylate, ETHYL 4-[(2,5-DIMETHOXYANILINO)CARBOTHIOYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
| Molecular Formula | C16H23N3O4S |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 2.1747 |
| Topological Polar Surface Area | 63.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.14093 |
| Heavy Atoms | 24 |
| Complexity | 588.6853 |
Chemical Identifiers
| CAS Number | 693239-83-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=S)NC2=C(C=CC(=C2)OC)OC |
Product Overview
Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate (CAS 693239-83-7), with molecular formula C16H23N3O4S and molecular weight 353.14 g/mol. IUPAC: ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate
The XLogP value of 2.1747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate. The TPSA of 63.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate has 1 hydrogen bond donor(s) and 5 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-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate is 693239-83-7.
What is the molecular formula of Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate is C16H23N3O4S.
What is the molecular weight of Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate is 353.14 g/mol.
Where can I buy Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[(2,5-dimethoxyphenyl)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-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.