![ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate structure](/static/products/5494/549475-23-2.webp)
ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate
TL;DR: ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate (CAS 549475-23-2) is a chemical compound with molecular formula C31H33N3O4S and molecular weight 543.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(diethylcarbamoyl)-2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate, ethyl 5-(diethylcarbamoyl)-2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate, ethyl 5-(diethylcarbamoyl)-2-(2-(3,4-dimethylphenyl)quinoline-4-carboxamido)-4-methylthiophene-3-carboxylate, ethyl 5-(N,N-diethylcarbamoyl)-2-{[2-(3,4-dimethylphenyl)(4-quinolyl)]carbonyl amino}-4-methylthiophene-3-carboxylate, ethyl 5-[(diethylamino)carbonyl]-2-({[2-(3,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate
| Molecular Formula | C31H33N3O4S |
|---|---|
| Molecular Weight | 543.22 g/mol |
| LogP | 6.79956 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.2192 |
| Heavy Atoms | 39 |
| Complexity | 1569.849 |
Chemical Identifiers
| CAS Number | 549475-23-2 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)C)C)C(=O)OCC)C |
Product Overview
ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate (CAS 549475-23-2), with molecular formula C31H33N3O4S and molecular weight 543.22 g/mol. IUPAC: ethyl 5-(diethylcarbamoyl)-2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate
Property Insights of ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate
The XLogP value of 6.79956 indicates that ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-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 ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate?
The CAS number of ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate is 549475-23-2.
What is the molecular formula of ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate?
The molecular formula of ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate is C31H33N3O4S.
What is the molecular weight of ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate?
The molecular weight of ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate is 543.22 g/mol.
Where can I buy ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate?
You can request a quote for ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-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 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.