4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde
TL;DR: 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde (CAS 29947-18-0) 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-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
Also Known As: 4-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde, 4-((3-Allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzaldehyde, 4-[(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde, 4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde, 4-[(Z)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
| Molecular Formula | C14H11NO2S2 |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.02313 |
| Heavy Atoms | 19 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 29947-18-0 |
|---|---|
| SMILES | C=CCN1C(=O)C(=CC2=CC=C(C=C2)C=O)SC1=S |
| InChIKey | YYKZHHPAGZSXRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde (CAS 29947-18-0), with molecular formula C14H11NO2S2 and molecular weight 289.02 g/mol. IUPAC: 4-[(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-thiazolidin-5-ylidenemethyl)-benzaldehyde
Property Insights of 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde
The XLogP value of 3.1 indicates that 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde. Following Lipinski's Rule of Five, 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-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-thiazolidin-5-ylidenemethyl)-benzaldehyde?
The CAS number of 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde is 29947-18-0.
What is the molecular formula of 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde?
The molecular formula of 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde is C14H11NO2S2.
What is the molecular weight of 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde?
The molecular weight of 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde is 289.02 g/mol.
Where can I buy 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde?
You can request a quote for 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-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-thiazolidin-5-ylidenemethyl)-benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.