![Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate structure](/static/products/4381/438194-64-0.webp)
Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
TL;DR: Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate (CAS 438194-64-0) is a chemical compound with molecular formula C26H20ClN3O3S and molecular weight 489.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
Also Known As: ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate, ethyl 4-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]benzoate, ethyl 4-(3-(2-(4-chlorophenyl)quinoline-4-carbonyl)thioureido)benzoate, ethyl 4-{[({[2-(4-chlorophenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate, ETHYL 4-{[({[2-(4-CHLOROPHENYL)-4-QUINOLYL]CARBONYL}AMINO)CARBOTHIOYL]AMINO}BENZOATE
| Molecular Formula | C26H20ClN3O3S |
|---|---|
| Molecular Weight | 489.09 g/mol |
| LogP | 5.8587 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.0914 |
| Heavy Atoms | 34 |
| Complexity | 1372.7075 |
Chemical Identifiers
| CAS Number | 438194-64-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl |
Product Overview
Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate (CAS 438194-64-0), with molecular formula C26H20ClN3O3S and molecular weight 489.09 g/mol. IUPAC: ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
Property Insights of Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate
The XLogP value of 5.8587 indicates that Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate has 2 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 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
The CAS number of Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate is 438194-64-0.
What is the molecular formula of Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
The molecular formula of Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate is C26H20ClN3O3S.
What is the molecular weight of Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
The molecular weight of Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate is 489.09 g/mol.
Where can I buy Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
You can request a quote for Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.