![methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate structure](/static/products/4698/469875-98-7.webp)
methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate
TL;DR: methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate (CAS 469875-98-7) is a chemical compound with molecular formula C20H17NO3S2 and molecular weight 383.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
Also Known As: methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate, (E)-methyl 4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoate, methyl 4-{5-[(4-ethylphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ben zoate, methyl 4-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
| Molecular Formula | C20H17NO3S2 |
|---|---|
| Molecular Weight | 383.06 g/mol |
| LogP | 4.4414 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.06497 |
| Heavy Atoms | 26 |
| Complexity | 886.2772 |
Chemical Identifiers
| CAS Number | 469875-98-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate (CAS 469875-98-7), with molecular formula C20H17NO3S2 and molecular weight 383.06 g/mol. IUPAC: methyl 4-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate.
Chemical Property Profile of methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate
Property Insights of methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate
The XLogP value of 4.4414 indicates that methyl 4-[(5E)-5-(4-ethylbenzylidene)-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-(4-ethylbenzylidene)-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-(4-ethylbenzylidene)-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-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
The CAS number of methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate is 469875-98-7.
What is the molecular formula of methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
The molecular formula of methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate is C20H17NO3S2.
What is the molecular weight of methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
The molecular weight of methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate is 383.06 g/mol.
Where can I buy methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
You can request a quote for methyl 4-[(5E)-5-(4-ethylbenzylidene)-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-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(5E)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.