![methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/3133/313392-59-5.webp)
methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 313392-59-5) 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.
methyl 2-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-({[2-(3,4-dimethoxyphenyl)quinolin-4-yl]carbonyl}amino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-(3,4-dimethoxyphenyl)quinoline-4-carboxamido)-6-(tert-pentyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-[2-(3,4-DIMETHOXYPHENYL)QUINOLINE-4-AMIDO]-6-(2-METHYLBUTAN-2-YL)-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 | 8 |
| Exact Mass | 572.2345 |
| Heavy Atoms | 41 |
| Complexity | 1623.6631 |
Chemical Identifiers
| CAS Number | 313392-59-5 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC |
Product Overview
methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 313392-59-5), with molecular formula C33H36N2O5S and molecular weight 572.23 g/mol. IUPAC: methyl 2-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 7.5605 indicates that methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-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 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-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 methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 313392-59-5.
What is the molecular formula of methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C33H36N2O5S.
What is the molecular weight of methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 572.23 g/mol.
Where can I buy methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-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 methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.