![ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate structure](/static/products/2986/298684-20-5.webp)
ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate
TL;DR: ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate (CAS 298684-20-5) is a chemical compound with molecular formula C13H18BrN5O3S and molecular weight 403.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-bromo-1-methylpyrazole-5-carbonyl)carbamothioyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate, ethyl 4-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}piperazine-1-carboxylate, ethyl 4-((4-bromo-1-methyl-1H-pyrazole-5-carbonyl)carbamothioyl)piperazine-1-carboxylate, Ethyl 4-[(4-bromo-2-methyl-pyrazole-3-carbonyl)thiocarbamoyl]piperazine-1-carboxylate, ethyl 4-({[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)-1-piperazinecarboxylate
| Molecular Formula | C13H18BrN5O3S |
|---|---|
| Molecular Weight | 403.03 g/mol |
| LogP | 0.9714 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.03137 |
| Heavy Atoms | 23 |
| Complexity | 593.2512 |
Chemical Identifiers
| CAS Number | 298684-20-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=C(C=NN2C)Br |
Product Overview
ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate (CAS 298684-20-5), with molecular formula C13H18BrN5O3S and molecular weight 403.03 g/mol. IUPAC: ethyl 4-[(4-bromo-1-methylpyrazole-5-carbonyl)carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate
Property Insights of ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate
The XLogP value of 0.9714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)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-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate?
The CAS number of ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate is 298684-20-5.
What is the molecular formula of ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate?
The molecular formula of ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate is C13H18BrN5O3S.
What is the molecular weight of ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate?
The molecular weight of ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate is 403.03 g/mol.
Where can I buy ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate?
You can request a quote for ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)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-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.