ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 371138-53-3) is a chemical compound with molecular formula C22H17N3O7S2 and molecular weight 499.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-hydroxy-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[(3E)-3-[hydroxy(thiophen-2-yl)methylidene]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(2-thienylcarbonyl)(3-pyrrolinyl) ]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophen-2-ylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[4-hydroxy-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C22H17N3O7S2 |
|---|---|
| Molecular Weight | 499.05 g/mol |
| LogP | 4.38082 |
| Topological Polar Surface Area | 139.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.05078 |
| Heavy Atoms | 34 |
| Complexity | 1344.2225 |
Chemical Identifiers
| CAS Number | 371138-53-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-])C |
Product Overview
ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 371138-53-3), with molecular formula C22H17N3O7S2 and molecular weight 499.05 g/mol. IUPAC: ethyl 2-[4-hydroxy-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.38082 indicates that ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-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 ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 10 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 ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 371138-53-3.
What is the molecular formula of ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C22H17N3O7S2.
What is the molecular weight of ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 499.05 g/mol.
Where can I buy ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-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-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-hydroxy-5-(3-nitrophenyl)-2-oxo-4-(thiophene-2-carbonyl)-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.