2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid
TL;DR: 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid (CAS 469876-22-0) is a chemical compound with molecular formula C23H20N2O5S2 and molecular weight 468.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-[3-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
Also Known As: 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid, F1025-0215, 2-hydroxy-4-[3-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid, 2-HYDROXY-4-{3-[(5Z)-5-[(2E)-2-METHYL-3-PHENYLPROP-2-EN-1-YLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANAMIDO}BENZOIC ACID, 2-hydroxy-4-[(3-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoyl)amino]benzoic acid
| Molecular Formula | C23H20N2O5S2 |
|---|---|
| Molecular Weight | 468.08 g/mol |
| LogP | 4.2667 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.08136 |
| Heavy Atoms | 32 |
| Complexity | 1142.3307 |
Chemical Identifiers
| CAS Number | 469876-22-0 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)O |
Product Overview
2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid (CAS 469876-22-0), with molecular formula C23H20N2O5S2 and molecular weight 468.08 g/mol. IUPAC: 2-hydroxy-4-[3-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid.
Chemical Property Profile of 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid
Property Insights of 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid
The XLogP value of 4.2667 indicates that 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic 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 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid. Following Lipinski's Rule of Five, 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic 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 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid?
The CAS number of 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid is 469876-22-0.
What is the molecular formula of 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid?
The molecular formula of 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid is C23H20N2O5S2.
What is the molecular weight of 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid?
The molecular weight of 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid is 468.08 g/mol.
Where can I buy 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid?
You can request a quote for 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-4-(3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.