![ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4381/438197-79-6.webp)
ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438197-79-6) is a chemical compound with molecular formula C32H33BrN2O3S and molecular weight 604.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[6-bromo-2-(4-butylphenyl)quinolin-4-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(6-bromo-2-(4-butylphenyl)quinoline-4-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{[6-bromo-2-(4-butylphenyl)(4-quinolyl)]carbonylamino}-6-methyl-4,5,6, 7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C32H33BrN2O3S |
|---|---|
| Molecular Weight | 604.14 g/mol |
| LogP | 8.6222 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 604.1395 |
| Heavy Atoms | 39 |
| Complexity | 1526.9517 |
Chemical Identifiers
| CAS Number | 438197-79-6 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)OCC |
Product Overview
ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 438197-79-6), with molecular formula C32H33BrN2O3S and molecular weight 604.14 g/mol. IUPAC: ethyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 8.6222 indicates that ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-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 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 438197-79-6.
What is the molecular formula of ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C32H33BrN2O3S.
What is the molecular weight of ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 604.14 g/mol.
Where can I buy ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-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 ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.