![ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/1005/1005653-53-1.webp)
ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 1005653-53-1) is a chemical compound with molecular formula C17H21N3O3S and molecular weight 347.13037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, ethyl 2-(1-ethyl-1H-pyrazole-4-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C17H21N3O3S |
| Molecular Weight | 347.13037 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.13037 Da |
| Heavy Atoms | 24 |
| Complexity | 476.0 |
| SMILES | CCN1C=C(C=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC |
| InChIKey | BJNMXKHUEORLFX-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.4 indicates that ethyl 2-{[(1-ethyl-1H-pyrazol-4-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 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-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
What is the CAS number of ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 1005653-53-1.
What is the molecular formula of ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C17H21N3O3S.
What is the molecular weight of ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 347.13037 g/mol.
Where can I buy ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-{[(1-ethyl-1H-pyrazol-4-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.