ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 338762-02-0) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-2-methyl-4-(phenyliminomethyl)-1H-pyrrole-3-carboxylate
Also Known As: ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, ethyl (4Z)-2-methyl-5-oxo-4-[(phenylamino)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate, ethyl (4E)-4-(anilinomethylidene)-2-methyl-5-oxo-1H-pyrrole-3-carboxylate, ethyl 5-hydroxy-2-methyl-4-(phenyliminomethyl)-1H-pyrrole-3-carboxylate, ethyl (4Z)-4-(anilinomethylene)-2-methyl-5-oxo-1H-pyrrole-3-carboxylate
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 2.95602 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 630.06824 |
Chemical Identifiers
| CAS Number | 338762-02-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C=NC2=CC=CC=C2)O)C |
Product Overview
ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 338762-02-0), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: ethyl 5-hydroxy-2-methyl-4-(phenyliminomethyl)-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 2.95602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-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
Frequently Asked Questions
What is the CAS number of ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 338762-02-0.
What is the molecular formula of ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C15H16N2O3.
What is the molecular weight of ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 272.12 g/mol.
Where can I buy ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(anilinomethylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.