(Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate
TL;DR: (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate (CAS 5567-52-2) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate
Also Known As: Chitotetrose, BAS 00534043, AB00089576-01, (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate, ethyl 3-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C16H17NO3S2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 3.14942 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.06497 |
| Heavy Atoms | 22 |
| Complexity | 622.783 |
Chemical Identifiers
| CAS Number | 5567-52-2 |
|---|---|
| SMILES | CCOC(=O)CCN1C(=O)/C(=C/C2=CC=C(C=C2)C)/SC1=S |
Product Overview
(Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate (CAS 5567-52-2), with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol. IUPAC: ethyl 3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate
Property Insights of (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate
The XLogP value of 3.14942 indicates that (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate has 0 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 (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate?
The CAS number of (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate is 5567-52-2.
What is the molecular formula of (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate?
The molecular formula of (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate is C16H17NO3S2.
What is the molecular weight of (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate?
The molecular weight of (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate is 335.06 g/mol.
Where can I buy (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate?
You can request a quote for (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.