![methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate structure](/static/products/157/15788-38-2.png)
methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
TL;DR: methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate (CAS 15788-38-2) is a chemical compound with molecular formula C17H18N2O5S2 and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
Also Known As: methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate, (E)-methyl 6-(5-(4-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoate, methyl 6-[(5E)-5-(4-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate, methyl 6-{5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hex anoate
| Molecular Formula | C17H18N2O5S2 |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 3.5294 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.0657 |
| Heavy Atoms | 26 |
| Complexity | 746.0251 |
Chemical Identifiers
| CAS Number | 15788-38-2 |
|---|---|
| SMILES | COC(=O)CCCCCN1C(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/SC1=S |
Product Overview
methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate (CAS 15788-38-2), with molecular formula C17H18N2O5S2 and molecular weight 394.07 g/mol. IUPAC: methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate.
Chemical Property Profile of methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
Property Insights of methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
The XLogP value of 3.5294 indicates that methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate. Following Lipinski's Rule of Five, methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate has 0 hydrogen bond donor(s) and 7 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 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate?
The CAS number of methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate is 15788-38-2.
What is the molecular formula of methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate?
The molecular formula of methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate is C17H18N2O5S2.
What is the molecular weight of methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate?
The molecular weight of methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate is 394.07 g/mol.
Where can I buy methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate?
You can request a quote for methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.