![ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate structure](/static/products/957/957294-60-9.png)
ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
TL;DR: ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate (CAS 957294-60-9) is a chemical compound with molecular formula C19H23N3O5S and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
Also Known As: ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate, ethyl 5-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylate, ethyl 5-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-3-carboxylate, ETHYL 5-({[3-(ETHOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}CARBONYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE, ethyl 5-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-1-methyl-1H-pyrazole-3-carboxylate
| Molecular Formula | C19H23N3O5S |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | 2.9661 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.13583 |
| Heavy Atoms | 28 |
| Complexity | 915.056 |
Chemical Identifiers
| CAS Number | 957294-60-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C |
Product Overview
ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate (CAS 957294-60-9), with molecular formula C19H23N3O5S and molecular weight 405.14 g/mol. IUPAC: ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate.
Chemical Property Profile of ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
Property Insights of ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
The XLogP value of 2.9661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-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 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate?
The CAS number of ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate is 957294-60-9.
What is the molecular formula of ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate?
The molecular formula of ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate is C19H23N3O5S.
What is the molecular weight of ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate?
The molecular weight of ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate is 405.14 g/mol.
Where can I buy ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate?
You can request a quote for ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-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 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.