methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 384369-76-0) is a chemical compound with molecular formula C24H19N3O7S and molecular weight 493.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(3E)-3-[hydroxy(4-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-{3-hydroxy-4-[(4-methylphenyl)carbonyl]-5-(4-nitrophenyl)-2-oxo(3-pyr rolinyl)}-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-{3-hydroxy-4-[(4-methylphenyl)carbonyl]-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C24H19N3O7S |
|---|---|
| Molecular Weight | 493.09 g/mol |
| LogP | 4.08104 |
| Topological Polar Surface Area | 139.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.09436 |
| Heavy Atoms | 35 |
| Complexity | 1391.4758 |
Chemical Identifiers
| CAS Number | 384369-76-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(C=C4)[N+](=O)[O-])/O |
Product Overview
methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 384369-76-0), with molecular formula C24H19N3O7S and molecular weight 493.09 g/mol. IUPAC: methyl 2-[(3E)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.08104 indicates that methyl 2-(3-hydroxy-4-(4-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 139.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 9 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 methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 384369-76-0.
What is the molecular formula of methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C24H19N3O7S.
What is the molecular weight of methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 493.09 g/mol.
Where can I buy methyl 2-(3-hydroxy-4-(4-methylbenzoyl)-5-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for methyl 2-(3-hydroxy-4-(4-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 methyl 2-(3-hydroxy-4-(4-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 methyl 2-(3-hydroxy-4-(4-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.