(E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate
TL;DR: (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate (CAS 374101-07-2) is a chemical compound with molecular formula C28H25NO6S2 and molecular weight 535.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] benzoate
Also Known As: (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate, [4-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] benzoate
| Molecular Formula | C28H25NO6S2 |
|---|---|
| Molecular Weight | 535.11 g/mol |
| LogP | 5.3755 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 535.1123 |
| Heavy Atoms | 37 |
| Complexity | 1356.0333 |
Chemical Identifiers
| CAS Number | 374101-07-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC)/SC2=S)OC |
Product Overview
(E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate (CAS 374101-07-2), with molecular formula C28H25NO6S2 and molecular weight 535.11 g/mol. IUPAC: [4-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] benzoate.
Chemical Property Profile of (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate
Property Insights of (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate
The XLogP value of 5.3755 indicates that (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate. Following Lipinski's Rule of Five, (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate?
The CAS number of (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate is 374101-07-2.
What is the molecular formula of (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate?
The molecular formula of (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate is C28H25NO6S2.
What is the molecular weight of (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate?
The molecular weight of (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate is 535.11 g/mol.
Where can I buy (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate?
You can request a quote for (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.