![methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate structure](/static/products/4333/433306-91-3.webp)
methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate
TL;DR: methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate (CAS 433306-91-3) is a chemical compound with molecular formula C18H12ClNO3S2 and molecular weight 388.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
Also Known As: methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate, (E)-methyl 4-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoate, methyl 4-{5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}be nzoate, methyl 4-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
| Molecular Formula | C18H12ClNO3S2 |
|---|---|
| Molecular Weight | 388.99 g/mol |
| LogP | 4.5324 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.99472 |
| Heavy Atoms | 25 |
| Complexity | 893.4491 |
Chemical Identifiers
| CAS Number | 433306-91-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=CC=C3Cl)/SC2=S |
Product Overview
methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate (CAS 433306-91-3), with molecular formula C18H12ClNO3S2 and molecular weight 388.99 g/mol. IUPAC: methyl 4-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate.
Chemical Property Profile of methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate
Property Insights of methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate
The XLogP value of 4.5324 indicates that methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate 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 methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
The CAS number of methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate is 433306-91-3.
What is the molecular formula of methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
The molecular formula of methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate is C18H12ClNO3S2.
What is the molecular weight of methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
The molecular weight of methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate is 388.99 g/mol.
Where can I buy methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
You can request a quote for methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(5E)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.