![Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate structure](/static/products/4382/438212-45-4.webp)
Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate
TL;DR: Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate (CAS 438212-45-4) is a chemical compound with molecular formula C25H19N3O3S and molecular weight 441.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate
Also Known As: methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate, methyl 4-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate, methyl 4-(3-(2-phenylquinoline-4-carbonyl)thioureido)benzoate, methyl 4-({[(2-phenylquinolin-4-yl)carbonyl]carbamothioyl}amino)benzoate, METHYL 4-[({[(2-PHENYL-4-QUINOLYL)CARBONYL]AMINO}CARBOTHIOYL)AMINO]BENZOATE
| Molecular Formula | C25H19N3O3S |
|---|---|
| Molecular Weight | 441.11 g/mol |
| LogP | 4.8152 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.11472 |
| Heavy Atoms | 32 |
| Complexity | 1305.3351 |
Chemical Identifiers
| CAS Number | 438212-45-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4 |
Product Overview
Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate (CAS 438212-45-4), with molecular formula C25H19N3O3S and molecular weight 441.11 g/mol. IUPAC: methyl 4-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate
Property Insights of Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate
The XLogP value of 4.8152 indicates that Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]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 Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate?
The CAS number of Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate is 438212-45-4.
What is the molecular formula of Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate?
The molecular formula of Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate is C25H19N3O3S.
What is the molecular weight of Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate?
The molecular weight of Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate is 441.11 g/mol.
Where can I buy Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate?
You can request a quote for Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.