methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 608510-04-9) is a chemical compound with molecular formula C24H19N3O8S and molecular weight 509.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-3-[hydroxy-(3-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(3E)-3-[hydroxy(3-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[(3E)-3-[hydroxy-(3-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-{3-hydroxy-4-[(3-methoxyphenyl)carbonyl]-5-(3-nitrophenyl)-2-oxo(3-py rrolinyl)}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C24H19N3O8S |
|---|---|
| Molecular Weight | 509.09 g/mol |
| LogP | 3.78122 |
| Topological Polar Surface Area | 149.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.0893 |
| Heavy Atoms | 36 |
| Complexity | 1444.6182 |
Chemical Identifiers
| CAS Number | 608510-04-9 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(/C(=C(/C3=CC(=CC=C3)OC)\O)/C(=O)C2=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC |
Product Overview
methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 608510-04-9), with molecular formula C24H19N3O8S and molecular weight 509.09 g/mol. IUPAC: methyl 2-[(3E)-3-[hydroxy-(3-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 3.78122 indicates that methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-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 methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-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, methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-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 methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 608510-04-9.
What is the molecular formula of methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C24H19N3O8S.
What is the molecular weight of methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 509.09 g/mol.
Where can I buy methyl 2-(3-hydroxy-4-(3-methoxybenzoyl)-5-(3-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-(3-methoxybenzoyl)-5-(3-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-(3-methoxybenzoyl)-5-(3-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-(3-methoxybenzoyl)-5-(3-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.