![Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/3526/352688-92-7.webp)
Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 352688-92-7) is a chemical compound with molecular formula C33H36N2O5S and molecular weight 572.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-tert-butyl-2-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 6-tert-butyl-2-({[2-(2,4-dimethoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-tert-butyl-2-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-tert-butyl-2-({[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 6-TERT-BUTYL-2-[2-(2,4-DIMETHOXYPHENYL)QUINOLINE-4-AMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C33H36N2O5S |
|---|---|
| Molecular Weight | 572.23 g/mol |
| LogP | 7.5605 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 572.2345 |
| Heavy Atoms | 41 |
| Complexity | 1618.1533 |
Chemical Identifiers
| CAS Number | 352688-92-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C=C(C=C5)OC)OC |
Product Overview
Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 352688-92-7), with molecular formula C33H36N2O5S and molecular weight 572.23 g/mol. IUPAC: ethyl 6-tert-butyl-2-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 7.5605 indicates that Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 352688-92-7.
What is the molecular formula of Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C33H36N2O5S.
What is the molecular weight of Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 572.23 g/mol.
Where can I buy Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-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 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[[2-(2,4-dimethoxyphenyl)-4-quinolinyl]carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.