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Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate
TL;DR: Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate (CAS 479218-09-2) is a chemical compound with molecular formula C15H21N3O2S and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate, Ethyl 4-(o-tolylcarbamothioyl)piperazine-1-carboxylate, ethyl 4-{[(2-methylphenyl)amino]carbonothioyl}-1-piperazinecarboxylate, 4-(o-tolylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester, 4-[(2-methylanilino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester
| Molecular Formula | C15H21N3O2S |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.46592 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.13544 |
| Heavy Atoms | 21 |
| Complexity | 513.39514 |
Chemical Identifiers
| CAS Number | 479218-09-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=CC=C2C |
Product Overview
Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate (CAS 479218-09-2), with molecular formula C15H21N3O2S and molecular weight 307.14 g/mol. IUPAC: ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate
Property Insights of Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate
The XLogP value of 2.46592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate. With a topological polar surface area (TPSA) of 44.81 Ų, Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(2-methylphenyl)carbamothioyl]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
Frequently Asked Questions
What is the CAS number of Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate?
The CAS number of Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate is 479218-09-2.
What is the molecular formula of Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate?
The molecular formula of Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate is C15H21N3O2S.
What is the molecular weight of Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate?
The molecular weight of Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate is 307.14 g/mol.
Where can I buy Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate?
You can request a quote for Ethyl 4-[(2-methylphenyl)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-methylphenyl)carbamothioyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(2-methylphenyl)carbamothioyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.