![5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid structure](/static/products/3136/313663-23-9.webp)
5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid
TL;DR: 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid (CAS 313663-23-9) is a chemical compound with molecular formula C12H7Cl2NO3S2 and molecular weight 346.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00319448, 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid, 2-[5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C12H7Cl2NO3S2 |
|---|---|
| Molecular Weight | 346.92 g/mol |
| LogP | 3.2792 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.92444 |
| Heavy Atoms | 20 |
| Complexity | 645.58966 |
Chemical Identifiers
| CAS Number | 313663-23-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C2C(=O)N(C(=S)S2)CC(=O)O)Cl)Cl |
Product Overview
5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid (CAS 313663-23-9), with molecular formula C12H7Cl2NO3S2 and molecular weight 346.92 g/mol. IUPAC: 2-[5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid
Property Insights of 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid
The XLogP value of 3.2792 indicates that 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid has 1 hydrogen bond donor(s) and 4 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 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid?
The CAS number of 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid is 313663-23-9.
What is the molecular formula of 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid?
The molecular formula of 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid is C12H7Cl2NO3S2.
What is the molecular weight of 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid?
The molecular weight of 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid is 346.92 g/mol.
Where can I buy 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid?
You can request a quote for 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-3-Thiazolidineacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.