![ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate structure](/static/products/4894/489407-47-8.webp)
ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate
TL;DR: ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate (CAS 489407-47-8) is a chemical compound with molecular formula C16H19ClN4O5S and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate, ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate, ethyl 2-(2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido)-4-ethyl-5-methylthiophene-3-carboxylate, ethyl 2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4-ethyl-5-methylthiophene-3-carboxylate, ETHYL 2-{[2-(4-CHLORO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETYL]AMINO}-4-ETHYL-5-METHYL-3-THIOPHENECARBOXYLATE
| Molecular Formula | C16H19ClN4O5S |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 3.50084 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.07648 |
| Heavy Atoms | 27 |
| Complexity | 905.24817 |
Chemical Identifiers
| CAS Number | 489407-47-8 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Cl)C)C |
Product Overview
ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate (CAS 489407-47-8), with molecular formula C16H19ClN4O5S and molecular weight 414.08 g/mol. IUPAC: ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate
Property Insights of ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate
The XLogP value of 3.50084 indicates that ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 7 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-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate?
The CAS number of ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate is 489407-47-8.
What is the molecular formula of ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate?
The molecular formula of ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate is C16H19ClN4O5S.
What is the molecular weight of ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate?
The molecular weight of ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate is 414.08 g/mol.
Where can I buy ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate?
You can request a quote for ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate 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-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.