![[4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid structure](/static/products/1103/1103516-15-9.webp)
[4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
TL;DR: [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid (CAS 1103516-15-9) is a chemical compound with molecular formula C18H13NO4S2 and molecular weight 371.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00282908, BIM-0025502.P001, AB00090117-01, [4-Oxo-5-(3-phenoxy-benzylidene)-2-thioxo-thiazolidin-3-yl]-acetic acid, [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C18H13NO4S2 |
|---|---|
| Molecular Weight | 371.03 g/mol |
| LogP | 3.7647 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.0286 |
| Heavy Atoms | 25 |
| Complexity | 864.3896 |
Chemical Identifiers
| CAS Number | 1103516-15-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O |
Product Overview
[4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid (CAS 1103516-15-9), with molecular formula C18H13NO4S2 and molecular weight 371.03 g/mol. IUPAC: 2-[(5E)-4-oxo-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Property Insights of [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
The XLogP value of 3.7647 indicates that [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid. Following Lipinski's Rule of Five, [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid 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 [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
The CAS number of [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is 1103516-15-9.
What is the molecular formula of [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
The molecular formula of [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is C18H13NO4S2.
What is the molecular weight of [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
The molecular weight of [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is 371.03 g/mol.
Where can I buy [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
You can request a quote for [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [4-Oxo-5-(3-phenoxybenzylidene)-2-thioxo-1,3-thiazolidin-3-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.