![[(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid structure](/static/products/444/444072-16-6.png)
[(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
TL;DR: [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid (CAS 444072-16-6) is a chemical compound with molecular formula C17H14N2O4S2 and molecular weight 374.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid|(E)-2-(5-((1-(4-methoxyphenyl)-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid|2-[(5E)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C17H14N2O4S2 |
|---|---|
| Molecular Weight | 374.04 g/mol |
| LogP | 2.7717 |
| Topological Polar Surface Area | 71.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.0395 |
| Heavy Atoms | 25 |
| Complexity | 871.02795 |
Chemical Identifiers
| CAS Number | 444072-16-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C=CC=C2/C=C/3\C(=O)N(C(=S)S3)CC(=O)O |
Product Overview
[(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid (CAS 444072-16-6), with molecular formula C17H14N2O4S2 and molecular weight 374.04 g/mol. IUPAC: 2-[(5E)-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Property Insights of [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
The XLogP value of 2.7717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid. The TPSA of 71.77 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid. Following Lipinski's Rule of Five, [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-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 [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
The CAS number of [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is 444072-16-6.
What is the molecular formula of [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
The molecular formula of [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is C17H14N2O4S2.
What is the molecular weight of [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
The molecular weight of [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid is 374.04 g/mol.
Where can I buy [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
You can request a quote for [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-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-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-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.