ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 487038-80-2) is a chemical compound with molecular formula C28H28N2O7S and molecular weight 536.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3E)-2-(4-ethoxyphenyl)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[(3E)-2-(4-ethoxyphenyl)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[2-(4-ethoxyphenyl)-4-hydroxy-3-[(4-methoxy-3-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-{2-(4-ethoxyphenyl)-4-hydroxy-3-[(4-methoxy-3-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C28H28N2O7S |
|---|---|
| Molecular Weight | 536.16 g/mol |
| LogP | 4.97024 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.16174 |
| Heavy Atoms | 38 |
| Complexity | 1425.4539 |
Chemical Identifiers
| CAS Number | 487038-80-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)C)\O)/C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OCC)C |
Product Overview
ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 487038-80-2), with molecular formula C28H28N2O7S and molecular weight 536.16 g/mol. IUPAC: ethyl 2-[(3E)-2-(4-ethoxyphenyl)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.97024 indicates that ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 487038-80-2.
What is the molecular formula of ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C28H28N2O7S.
What is the molecular weight of ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 536.16 g/mol.
Where can I buy ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-(4-ethoxyphenyl)-4-hydroxy-3-(4-methoxy-3-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.