![{(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid structure](/static/products/6751/675188-69-9.webp)
{(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
TL;DR: {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid (CAS 675188-69-9) is a chemical compound with molecular formula C14H16N2O3S2 and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid, {5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid, 2-[(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, (E)-2-(5-((1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, 2-[(5E)-5-[(1-ETHYL-2,5-DIMETHYL-1H-PYRROL-3-YL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETIC ACID
| Molecular Formula | C14H16N2O3S2 |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 2.41064 |
| Topological Polar Surface Area | 62.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.06024 |
| Heavy Atoms | 21 |
| Complexity | 661.4216 |
Chemical Identifiers
| CAS Number | 675188-69-9 |
|---|---|
| SMILES | CCN1C(=CC(=C1C)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)C |
Product Overview
{(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid (CAS 675188-69-9), with molecular formula C14H16N2O3S2 and molecular weight 324.06 g/mol. IUPAC: 2-[(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Property Insights of {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
The XLogP value of 2.41064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid. The TPSA of 62.54 Ų falls within the moderate polarity range, balancing permeability and solubility for {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid. Following Lipinski's Rule of Five, {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic 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 {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid?
The CAS number of {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid is 675188-69-9.
What is the molecular formula of {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid?
The molecular formula of {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid is C14H16N2O3S2.
What is the molecular weight of {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid?
The molecular weight of {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid is 324.06 g/mol.
Where can I buy {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid?
You can request a quote for {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-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 {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.