![ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate structure](/static/products/5128/512807-29-3.webp)
ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate
TL;DR: ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate (CAS 512807-29-3) is a chemical compound with molecular formula C16H17BrN4O3S and molecular weight 424.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]benzoate
Also Known As: ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate, ethyl 4-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]benzoate, ethyl 4-(3-(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)thioureido)benzoate, Ethyl 4-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)thiocarbamoylamino]benzoate, ethyl 4-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)benzoate
| Molecular Formula | C16H17BrN4O3S |
|---|---|
| Molecular Weight | 424.02 g/mol |
| LogP | 2.969 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.02048 |
| Heavy Atoms | 25 |
| Complexity | 789.17755 |
Chemical Identifiers
| CAS Number | 512807-29-3 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC)Br |
Product Overview
ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate (CAS 512807-29-3), with molecular formula C16H17BrN4O3S and molecular weight 424.02 g/mol. IUPAC: ethyl 4-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]benzoate.
Chemical Property Profile of ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate
Property Insights of ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate
The XLogP value of 2.969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate has 2 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-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate?
The CAS number of ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate is 512807-29-3.
What is the molecular formula of ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate?
The molecular formula of ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate is C16H17BrN4O3S.
What is the molecular weight of ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate?
The molecular weight of ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate is 424.02 g/mol.
Where can I buy ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate?
You can request a quote for ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate 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-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.