![4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde structure](/static/products/5539/5539-90-2.webp)
4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
TL;DR: 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde (CAS 5539-90-2) is a chemical compound with molecular formula C14H11NO2S2 and molecular weight 289.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
Also Known As: BIM-0000179.P001, 4-[(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde, 4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde, 4-{[(5E)-4-OXO-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZALDEHYDE
| Molecular Formula | C14H11NO2S2 |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | 2.8863 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.02313 |
| Heavy Atoms | 19 |
| Complexity | 575.6137 |
Chemical Identifiers
| CAS Number | 5539-90-2 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=C(C=C2)C=O)/SC1=S |
Product Overview
4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde (CAS 5539-90-2), with molecular formula C14H11NO2S2 and molecular weight 289.02 g/mol. IUPAC: 4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde.
Chemical Property Profile of 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
Property Insights of 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
The XLogP value of 2.8863 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde. With a topological polar surface area (TPSA) of 37.38 Ų, 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde has 0 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 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde?
The CAS number of 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde is 5539-90-2.
What is the molecular formula of 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde?
The molecular formula of 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde is C14H11NO2S2.
What is the molecular weight of 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde?
The molecular weight of 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde is 289.02 g/mol.
Where can I buy 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde?
You can request a quote for 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.