(Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate
TL;DR: (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate (CAS 733798-67-9) is a chemical compound with molecular formula C21H22N2O5S and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5Z)-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate, ethyl 2-[(5Z)-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C21H22N2O5S |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 3.70214 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.12494 |
| Heavy Atoms | 29 |
| Complexity | 991.24554 |
Chemical Identifiers
| CAS Number | 733798-67-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)/C(=C/C2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C)/SC1=O |
Product Overview
(Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate (CAS 733798-67-9), with molecular formula C21H22N2O5S and molecular weight 414.12 g/mol. IUPAC: ethyl 2-[(5Z)-5-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate
Property Insights of (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate
The XLogP value of 3.70214 indicates that (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate. Following Lipinski's Rule of Five, (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate has 0 hydrogen bond donor(s) and 6 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 (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate?
The CAS number of (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate is 733798-67-9.
What is the molecular formula of (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate?
The molecular formula of (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate is C21H22N2O5S.
What is the molecular weight of (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate?
The molecular weight of (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate is 414.12 g/mol.
Where can I buy (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate?
You can request a quote for (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-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 (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-(5-((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.