ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 488708-87-8) is a chemical compound with molecular formula C26H23N3O8S and molecular weight 537.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3E)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[(3E)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[(3E)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C26H23N3O8S |
|---|---|
| Molecular Weight | 537.12 g/mol |
| LogP | 4.47974 |
| Topological Polar Surface Area | 149.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 537.1206 |
| Heavy Atoms | 38 |
| Complexity | 1492.6022 |
Chemical Identifiers
| CAS Number | 488708-87-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=C(C=C(C=C3)OC)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)[N+](=O)[O-])C |
Product Overview
ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 488708-87-8), with molecular formula C26H23N3O8S and molecular weight 537.12 g/mol. IUPAC: ethyl 2-[(3E)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.47974 indicates that ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-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 149.17 Ų indicates high polarity, suggesting ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 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 ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 488708-87-8.
What is the molecular formula of ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C26H23N3O8S.
What is the molecular weight of ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 537.12 g/mol.
Where can I buy ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-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-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-5-(4-nitrophenyl)-2-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.