(E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
TL;DR: (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate (CAS 307538-89-2) is a chemical compound with molecular formula C20H25NO5S2 and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[(4-hexoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate, methyl 2-[(5E)-5-[(4-hexoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C20H25NO5S2 |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 4.0285 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 423.1174 |
| Heavy Atoms | 28 |
| Complexity | 762.963 |
Chemical Identifiers
| CAS Number | 307538-89-2 |
|---|---|
| SMILES | CCCCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)OC)OC |
Product Overview
(E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate (CAS 307538-89-2), with molecular formula C20H25NO5S2 and molecular weight 423.12 g/mol. IUPAC: methyl 2-[(5E)-5-[(4-hexoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
Property Insights of (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
The XLogP value of 4.0285 indicates that (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate 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 (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
The CAS number of (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate is 307538-89-2.
What is the molecular formula of (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
The molecular formula of (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate is C20H25NO5S2.
What is the molecular weight of (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
The molecular weight of (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate is 423.12 g/mol.
Where can I buy (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
You can request a quote for (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(5-(4-(hexyloxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.