![5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid structure](/static/products/1738/17385-94-3.webp)
5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid
TL;DR: 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid (CAS 17385-94-3) is a chemical compound with molecular formula C18H22N2O3S2 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid, 4-(5-{[4-(diethylamino)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid, 4-[5-[(4-diethylaminophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic Acid, 4-[5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C18H22N2O3S2 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 3.5988 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.10718 |
| Heavy Atoms | 25 |
| Complexity | 682.0665 |
Chemical Identifiers
| CAS Number | 17385-94-3 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)O |
Product Overview
5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid (CAS 17385-94-3), with molecular formula C18H22N2O3S2 and molecular weight 378.11 g/mol. IUPAC: 4-[5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid
Property Insights of 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid
The XLogP value of 3.5988 indicates that 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid. Following Lipinski's Rule of Five, 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic 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 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid?
The CAS number of 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid is 17385-94-3.
What is the molecular formula of 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid?
The molecular formula of 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid is C18H22N2O3S2.
What is the molecular weight of 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid?
The molecular weight of 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid is 378.11 g/mol.
Where can I buy 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid?
You can request a quote for 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[[4-(Diethylamino)phenyl]methylene]-4-oxo-2-thioxo-3-thiazolidinebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.