(E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
TL;DR: (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate (CAS 307538-86-9) is a chemical compound with molecular formula C21H18ClNO5S2 and molecular weight 463.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate, methyl [(5E)-5-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate, methyl 2-[(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C21H18ClNO5S2 |
|---|---|
| Molecular Weight | 463.03 g/mol |
| LogP | 4.3018 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.0315 |
| Heavy Atoms | 30 |
| Complexity | 1024.2063 |
Chemical Identifiers
| CAS Number | 307538-86-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)OC)OCC3=CC=CC=C3Cl |
Product Overview
(E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate (CAS 307538-86-9), with molecular formula C21H18ClNO5S2 and molecular weight 463.03 g/mol. IUPAC: methyl 2-[(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
Property Insights of (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
The XLogP value of 4.3018 indicates that (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-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-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-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-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
The CAS number of (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate is 307538-86-9.
What is the molecular formula of (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
The molecular formula of (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate is C21H18ClNO5S2.
What is the molecular weight of (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
The molecular weight of (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate is 463.03 g/mol.
Where can I buy (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
You can request a quote for (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-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-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(5-(4-((2-chlorobenzyl)oxy)-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.