![ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate structure](/static/products/5128/512808-89-8.webp)
ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate
TL;DR: ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate (CAS 512808-89-8) is a chemical compound with molecular formula C20H25N3O5S and molecular weight 419.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-5-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylate
Also Known As: ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate, ethyl 1-methyl-5-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylate, ethyl 1-methyl-5-((3-(propoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)-1H-pyrazole-3-carboxylate, ETHYL 1-METHYL-5-({[3-(PROPOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}CARBONYL)-1H-PYRAZOLE-3-CARBOXYLATE, ethyl 1-methyl-5-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-1H-pyrazole-3-carboxylate
| Molecular Formula | C20H25N3O5S |
|---|---|
| Molecular Weight | 419.15 g/mol |
| LogP | 3.3562 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.1515 |
| Heavy Atoms | 29 |
| Complexity | 930.937 |
Chemical Identifiers
| CAS Number | 512808-89-8 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3C)C(=O)OCC |
Product Overview
ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate (CAS 512808-89-8), with molecular formula C20H25N3O5S and molecular weight 419.15 g/mol. IUPAC: ethyl 1-methyl-5-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylate.
Chemical Property Profile of ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate
Property Insights of ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate
The XLogP value of 3.3562 indicates that ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-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 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate?
The CAS number of ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate is 512808-89-8.
What is the molecular formula of ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate?
The molecular formula of ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate is C20H25N3O5S.
What is the molecular weight of ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate?
The molecular weight of ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate is 419.15 g/mol.
Where can I buy ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate?
You can request a quote for ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-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 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.