methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate
TL;DR: methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate (CAS 56196-66-8) is a chemical compound with molecular formula C6H7NO3S and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate
Also Known As: ACETICACIDMETHYLESTER, methyl-(4-oxo-1,3-thiazolidin-2-ylidene)acetate, Acetic acid, (4-oxo-2-thiazolidinylidene)-, methyl ester, methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate, methyl (2E)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate
| Molecular Formula | C6H7NO3S |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | -0.1362 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.01466 |
| Heavy Atoms | 11 |
| Complexity | 223.86728 |
Chemical Identifiers
| CAS Number | 56196-66-8 |
|---|---|
| SMILES | COC(=O)/C=C/1\NC(=O)CS1 |
Product Overview
methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate (CAS 56196-66-8), with molecular formula C6H7NO3S and molecular weight 173.01 g/mol. IUPAC: methyl (2E)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate.
Chemical Property Profile of methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate
Property Insights of methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate
The XLogP value of -0.1362 indicates that methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.4 Ų, methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate 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 methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate?
The CAS number of methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate is 56196-66-8.
What is the molecular formula of methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate?
The molecular formula of methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate is C6H7NO3S.
What is the molecular weight of methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate?
The molecular weight of methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate is 173.01 g/mol.
Where can I buy methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate?
You can request a quote for methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.