![ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate structure](/static/products/4947/494791-27-4.webp)
ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate
TL;DR: ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate (CAS 494791-27-4) is a chemical compound with molecular formula C18H21N3O5S and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylate
Also Known As: ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate, ethyl 5-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-2-methylpyrazole-3-carboxylate, ethyl 3-((3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)-1-methyl-1H-pyrazole-5-carboxylate, ETHYL 3-({[3-(METHOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}CARBONYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLATE, ethyl 3-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-1-methyl-1H-pyrazole-5-carboxylate
| Molecular Formula | C18H21N3O5S |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 2.576 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.12018 |
| Heavy Atoms | 27 |
| Complexity | 899.1895 |
Chemical Identifiers
| CAS Number | 494791-27-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC |
Product Overview
ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate (CAS 494791-27-4), with molecular formula C18H21N3O5S and molecular weight 391.12 g/mol. IUPAC: ethyl 3-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylate.
Chemical Property Profile of ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate
Property Insights of ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate
The XLogP value of 2.576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-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 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate?
The CAS number of ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate is 494791-27-4.
What is the molecular formula of ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate?
The molecular formula of ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate is C18H21N3O5S.
What is the molecular weight of ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate?
The molecular weight of ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate is 391.12 g/mol.
Where can I buy ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate?
You can request a quote for ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.