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Ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate
TL;DR: Ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate (CAS 438212-66-9) is a chemical compound with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate
Also Known As: ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate, ethyl 3-({[(2-phenylquinolin-4-yl)carbonyl]carbamothioyl}amino)benzoate, ethyl 3-(3-(2-phenylquinoline-4-carbonyl)thioureido)benzoate, ethyl 3-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate, ETHYL 3-[({[(2-PHENYL-4-QUINOLYL)CARBONYL]AMINO}CARBOTHIOYL)AMINO]BENZOATE
| Molecular Formula | C26H21N3O3S |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 5.2053 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.13037 |
| Heavy Atoms | 33 |
| Complexity | 1339.2109 |
Chemical Identifiers
| CAS Number | 438212-66-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 |
Product Overview
Ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate (CAS 438212-66-9), with molecular formula C26H21N3O3S and molecular weight 455.13 g/mol. IUPAC: ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate
Property Insights of Ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate
The XLogP value of 5.2053 indicates that Ethyl 3-[(2-phenylquinoline-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 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 3-[(2-phenylquinoline-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 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate?
The CAS number of Ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate is 438212-66-9.
What is the molecular formula of Ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate?
The molecular formula of Ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate is C26H21N3O3S.
What is the molecular weight of Ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate?
The molecular weight of Ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate is 455.13 g/mol.
Where can I buy Ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate?
You can request a quote for Ethyl 3-[(2-phenylquinoline-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 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.