![ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate structure](/static/products/5128/512808-86-5.webp)
ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate
TL;DR: ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate (CAS 512808-86-5) is a chemical compound with molecular formula C17H20N4O4S and molecular weight 376.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
Also Known As: ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate, ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate, ethyl 5-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylate, ethyl 5-({[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-3-carboxylate, ETHYL 5-({[3-(AMINOCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}CARBONYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
| Molecular Formula | C17H20N4O4S |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | 1.8883 |
| Topological Polar Surface Area | 116.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.1205 |
| Heavy Atoms | 26 |
| Complexity | 883.7002 |
Chemical Identifiers
| CAS Number | 512808-86-5 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C |
Product Overview
ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate (CAS 512808-86-5), with molecular formula C17H20N4O4S and molecular weight 376.12 g/mol. IUPAC: ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate.
Chemical Property Profile of ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate
Property Insights of ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate
The XLogP value of 1.8883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate. The TPSA of 116.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate has 2 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 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate?
The CAS number of ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate is 512808-86-5.
What is the molecular formula of ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate?
The molecular formula of ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate is C17H20N4O4S.
What is the molecular weight of ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate?
The molecular weight of ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate is 376.12 g/mol.
Where can I buy ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate?
You can request a quote for ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-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-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.