![[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate structure](/static/products/4049/404910-72-1.webp)
[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
TL;DR: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate (CAS 404910-72-1) is a chemical compound with molecular formula C24H24N2O5S and molecular weight 452.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
Also Known As: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate|{[3-(ETHOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]CARBAMOYL}METHYL 2-METHYLQUINOLINE-4-CARBOXYLATE|2-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-2-oxoethyl 2-methylquinoline-4-carboxylate|2-{[3-(ETHOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}-2-OXOETHYL 2-METHYL-4-QUINOLINECARBOXYLATE|2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethyl 2-methylquinoline-4-carboxylate
| Molecular Formula | C24H24N2O5S |
|---|---|
| Molecular Weight | 452.14 g/mol |
| LogP | 4.45572 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.1406 |
| Heavy Atoms | 32 |
| Complexity | 1200.5629 |
Chemical Identifiers
| CAS Number | 404910-72-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C |
Product Overview
[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate (CAS 404910-72-1), with molecular formula C24H24N2O5S and molecular weight 452.14 g/mol. IUPAC: [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate.
Chemical Property Profile of [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
Property Insights of [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
The XLogP value of 4.45572 indicates that [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate. Following Lipinski's Rule of Five, [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-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 [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The CAS number of [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is 404910-72-1.
What is the molecular formula of [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The molecular formula of [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is C24H24N2O5S.
What is the molecular weight of [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The molecular weight of [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate is 452.14 g/mol.
Where can I buy [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
You can request a quote for [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.