ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate
TL;DR: ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate (CAS 133593-54-1) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-hydroxy-2-methyl-5-(phenyliminomethyl)-1H-pyrrole-3-carboxylate
Also Known As: BIM-0021362.P001, ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate, (E)-ethyl 2-methyl-4-oxo-5-((phenylamino)methylene)-4,5-dihydro-1H-pyrrole-3-carboxylate, ethyl (5E)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate, ethyl 5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate
Technical Specifications
| Molecular Formula | C15H16N2O3 |
| Molecular Weight | 272.1161 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.1161 Da |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
| SMILES | CCOC(=O)C1=C(NC(=C1O)C=NC2=CC=CC=C2)C |
| InChIKey | NNZAAVIYYYNWKW-UHFFFAOYSA-N |
Chemical Property Profile of ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate
Property Insights of ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate
The XLogP value of 3.2 indicates that ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate?
The CAS number of ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate is 133593-54-1.
What is the molecular formula of ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate is C15H16N2O3.
What is the molecular weight of ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate is 272.1161 g/mol.
Where can I buy ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl (5Z)-5-(anilinomethylidene)-2-methyl-4-oxo-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.