(E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid
TL;DR: (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid (CAS 892633-72-6) is a chemical compound with molecular formula C20H13NO5S2 and molecular weight 411.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid
Also Known As: (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid, 4-[(5E)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid, 4-[(5E)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid
| Molecular Formula | C20H13NO5S2 |
|---|---|
| Molecular Weight | 411.02 g/mol |
| LogP | 3.815 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.02353 |
| Heavy Atoms | 28 |
| Complexity | 1089.7537 |
Chemical Identifiers
| CAS Number | 892633-72-6 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2O1)/C=C/3\C(=O)N(C(=S)S3)C4=CC(=C(C=C4)C(=O)O)O |
Product Overview
(E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid (CAS 892633-72-6), with molecular formula C20H13NO5S2 and molecular weight 411.02 g/mol. IUPAC: 4-[(5E)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-hydroxybenzoic acid.
Chemical Property Profile of (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid
Property Insights of (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid
The XLogP value of 3.815 indicates that (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid. Following Lipinski's Rule of Five, (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid has 2 hydrogen bond donor(s) and 6 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)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid?
The CAS number of (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid is 892633-72-6.
What is the molecular formula of (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid?
The molecular formula of (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid is C20H13NO5S2.
What is the molecular weight of (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid?
The molecular weight of (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid is 411.02 g/mol.
Where can I buy (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid?
You can request a quote for (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(5-((2H-chromen-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.