(E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid
TL;DR: (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid (CAS 378766-19-9) is a chemical compound with molecular formula C20H15ClN2O5S2 and molecular weight 462.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid
Also Known As: (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid, AS-871/40830757, F1171-0027, 5-[3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid, 5-{3-[(5E)-5-[(2-CHLOROPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANAMIDO}-2-HYDROXYBENZOIC ACID
| Molecular Formula | C20H15ClN2O5S2 |
|---|---|
| Molecular Weight | 462.01 g/mol |
| LogP | 3.9738 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.01108 |
| Heavy Atoms | 30 |
| Complexity | 1086.6166 |
Chemical Identifiers
| CAS Number | 378766-19-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)O)C(=O)O)Cl |
Product Overview
(E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid (CAS 378766-19-9), with molecular formula C20H15ClN2O5S2 and molecular weight 462.01 g/mol. IUPAC: 5-[3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid.
Chemical Property Profile of (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid
Property Insights of (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid
The XLogP value of 3.9738 indicates that (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid. Following Lipinski's Rule of Five, (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid has 3 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)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid?
The CAS number of (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid is 378766-19-9.
What is the molecular formula of (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid?
The molecular formula of (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid is C20H15ClN2O5S2.
What is the molecular weight of (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid?
The molecular weight of (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid is 462.01 g/mol.
Where can I buy (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid?
You can request a quote for (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-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)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.