![ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/5147/514799-19-0.webp)
ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 514799-19-0) is a chemical compound with molecular formula C17H20N4O5S and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1-ethyl-4-nitropyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(2-ethyl-4-nitropyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[(1-ethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(1-ethyl-4-nitro-1H-pyrazole-5-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C17H20N4O5S |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 3.1805 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.11545 |
| Heavy Atoms | 27 |
| Complexity | 901.5162 |
Chemical Identifiers
| CAS Number | 514799-19-0 |
|---|---|
| SMILES | CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC |
Product Overview
ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 514799-19-0), with molecular formula C17H20N4O5S and molecular weight 392.12 g/mol. IUPAC: ethyl 2-[(1-ethyl-4-nitropyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.1805 indicates that ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 514799-19-0.
What is the molecular formula of ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C17H20N4O5S.
What is the molecular weight of ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 392.12 g/mol.
Where can I buy ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-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-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.