![isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/5225/522596-81-2.webp)
isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 522596-81-2) is a chemical compound with molecular formula C33H36N2O4S and molecular weight 556.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[2-(4-ethoxyphenyl)-6-methylquinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-({[2-(4-ethoxyphenyl)-6-methylquinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-[[2-(4-ethoxyphenyl)-6-methylquinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-(2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamido)-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methylethyl 2-{[2-(4-ethoxyphenyl)-6-methyl(4-quinolyl)]carbonylamino}-6-ethyl -4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C33H36N2O4S |
|---|---|
| Molecular Weight | 556.24 g/mol |
| LogP | 8.00282 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 556.23956 |
| Heavy Atoms | 40 |
| Complexity | 1555.2153 |
Chemical Identifiers
| CAS Number | 522596-81-2 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=C(C=C5)OCC |
Product Overview
isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 522596-81-2), with molecular formula C33H36N2O4S and molecular weight 556.24 g/mol. IUPAC: propan-2-yl 2-[[2-(4-ethoxyphenyl)-6-methylquinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 8.00282 indicates that isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 522596-81-2.
What is the molecular formula of isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C33H36N2O4S.
What is the molecular weight of isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 556.24 g/mol.
Where can I buy isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.