![ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate structure](/static/products/4918/491832-16-7.webp)
ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
TL;DR: ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 491832-16-7) is a chemical compound with molecular formula C18H23BrN4O4S and molecular weight 470.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, ethyl 2-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, ethyl 2-{[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate, ethyl 2-(4-bromo-1-methyl-1H-pyrazole-5-carboxamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C18H23BrN4O4S |
|---|---|
| Molecular Weight | 470.06 g/mol |
| LogP | 3.46352 |
| Topological Polar Surface Area | 93.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.06235 |
| Heavy Atoms | 28 |
| Complexity | 882.278 |
Chemical Identifiers
| CAS Number | 491832-16-7 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=NN2C)Br)C(=O)OCC)C |
Product Overview
ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 491832-16-7), with molecular formula C18H23BrN4O4S and molecular weight 470.06 g/mol. IUPAC: ethyl 2-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Property Insights of ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
The XLogP value of 3.46352 indicates that ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.53 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The CAS number of ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is 491832-16-7.
What is the molecular formula of ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular formula of ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is C18H23BrN4O4S.
What is the molecular weight of ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
The molecular weight of ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is 470.06 g/mol.
Where can I buy ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
You can request a quote for ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.