![butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate structure](/static/products/304/304864-03-7.png)
butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate
TL;DR: butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate (CAS 304864-03-7) is a chemical compound with molecular formula C22H30N2O6S4 and molecular weight 546.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Also Known As: butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate, (E)-dibutyl 4,4'-(4,4'-dioxo-2,2'-dithioxo-2H,2'H-[5,5'-bithiazolylidene]-3,3'(4H,4'H)-diyl)dibutanoate, 4-[(E)-3'-(3-Butoxycarbonyl-propyl)-4,4'-dioxo-2,2'-dithioxo-[5,5']bithiazolidinyliden-3-yl]-butyric acid butyl ester, butyl 4-(5-{3-[3-(butoxycarbonyl)propyl]-4-oxo-2-thioxo(1,3-thiazolidin-5-ylid ene)}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoate, butyl 4-[(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
| Molecular Formula | C22H30N2O6S4 |
|---|---|
| Molecular Weight | 546.10 g/mol |
| LogP | 4.1656 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 546.0987 |
| Heavy Atoms | 34 |
| Complexity | 792.3328 |
Chemical Identifiers
| CAS Number | 304864-03-7 |
|---|---|
| SMILES | CCCCOC(=O)CCCN1C(=O)/C(=C\2/C(=O)N(C(=S)S2)CCCC(=O)OCCCC)/SC1=S |
Product Overview
butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate (CAS 304864-03-7), with molecular formula C22H30N2O6S4 and molecular weight 546.10 g/mol. IUPAC: butyl 4-[(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate.
Chemical Property Profile of butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate
Property Insights of butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate
The XLogP value of 4.1656 indicates that butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.22 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate. Following Lipinski's Rule of Five, butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate?
The CAS number of butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate is 304864-03-7.
What is the molecular formula of butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate?
The molecular formula of butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate is C22H30N2O6S4.
What is the molecular weight of butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate?
The molecular weight of butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate is 546.10 g/mol.
Where can I buy butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate?
You can request a quote for butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-{(5E)-5-[3-(4-butoxy-4-oxobutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.