(E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide
TL;DR: (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide (CAS 902332-92-7) is a chemical compound with molecular formula C23H19N3O3S2 and molecular weight 449.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
Also Known As: (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide, N-[(2-hydroxyquinolin-4-yl)methyl]-N-methyl-4-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide, N-methyl-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
| Molecular Formula | C23H19N3O3S2 |
|---|---|
| Molecular Weight | 449.09 g/mol |
| LogP | 3.6313 |
| Topological Polar Surface Area | 73.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.0868 |
| Heavy Atoms | 31 |
| Complexity | 1295.4146 |
Chemical Identifiers
| CAS Number | 902332-92-7 |
|---|---|
| SMILES | CN1C(=O)/C(=C\C2=CC=C(C=C2)C(=O)N(C)CC3=CC(=O)NC4=CC=CC=C43)/SC1=S |
Product Overview
(E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide (CAS 902332-92-7), with molecular formula C23H19N3O3S2 and molecular weight 449.09 g/mol. IUPAC: N-methyl-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide.
Chemical Property Profile of (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide
Property Insights of (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide
The XLogP value of 3.6313 indicates that (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide. Following Lipinski's Rule of Five, (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide has 1 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 (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide?
The CAS number of (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide is 902332-92-7.
What is the molecular formula of (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide?
The molecular formula of (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide is C23H19N3O3S2.
What is the molecular weight of (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide?
The molecular weight of (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide is 449.09 g/mol.
Where can I buy (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide?
You can request a quote for (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-((2-hydroxyquinolin-4-yl)methyl)-N-methyl-4-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.