![2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid structure](/static/products/872/872696-30-5.png)
2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid
TL;DR: 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid (CAS 872696-30-5) is a chemical compound with molecular formula C20H17NO7S2 and molecular weight 447.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid, F1951-0106, (Z)-2-hydroxy-4-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)benzoic acid, 2-hydroxy-4-{4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene](1,3-thiazoli din-3-yl)}benzoic acid
| Molecular Formula | C20H17NO7S2 |
|---|---|
| Molecular Weight | 447.04 g/mol |
| LogP | 3.522 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.04465 |
| Heavy Atoms | 30 |
| Complexity | 1055.815 |
Chemical Identifiers
| CAS Number | 872696-30-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N(C(=S)S2)C3=CC(=C(C=C3)C(=O)O)O |
Product Overview
2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid (CAS 872696-30-5), with molecular formula C20H17NO7S2 and molecular weight 447.04 g/mol. IUPAC: 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid
Property Insights of 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid
The XLogP value of 3.522 indicates that 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid. Following Lipinski's Rule of Five, 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid has 2 hydrogen bond donor(s) and 8 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-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid?
The CAS number of 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid is 872696-30-5.
What is the molecular formula of 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid?
The molecular formula of 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid is C20H17NO7S2.
What is the molecular weight of 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid?
The molecular weight of 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid is 447.04 g/mol.
Where can I buy 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid?
You can request a quote for 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]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-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-4-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.