![5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid structure](/static/products/1611/161192-20-7.webp)
5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid
TL;DR: 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid (CAS 161192-20-7) is a chemical compound with molecular formula C12H9NO5S2 and molecular weight 310.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 5-[(3,4-dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid, 2-[5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic Acid
| Molecular Formula | C12H9NO5S2 |
|---|---|
| Molecular Weight | 310.99 g/mol |
| LogP | 1.3836 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.99222 |
| Heavy Atoms | 20 |
| Complexity | 640.7349 |
Chemical Identifiers
| CAS Number | 161192-20-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=C2C(=O)N(C(=S)S2)CC(=O)O)O)O |
Product Overview
5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid (CAS 161192-20-7), with molecular formula C12H9NO5S2 and molecular weight 310.99 g/mol. IUPAC: 2-[5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid
Property Insights of 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid
The XLogP value of 1.3836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid. Following Lipinski's Rule of Five, 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic 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 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid?
The CAS number of 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid is 161192-20-7.
What is the molecular formula of 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid?
The molecular formula of 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid is C12H9NO5S2.
What is the molecular weight of 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid?
The molecular weight of 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid is 310.99 g/mol.
Where can I buy 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid?
You can request a quote for 5-[(3,4-Dihydroxyphenyl)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-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3,4-Dihydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidineacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.