ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
TL;DR: ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate (CAS 142650-14-4) is a chemical compound with molecular formula C13H11NO4 and molecular weight 245.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(2,5-dioxopyrrol-1-yl)benzoate
Also Known As: ethyl 3-(2,5-dioxoazolinyl)benzoate, ethyl 3-(2,5-dioxopyrrol-1-yl)benzoate, BIM-0002559.P001, ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
Technical Specifications
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.0688 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.0688 Da |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)N2C(=O)C=CC2=O |
| InChIKey | BWBMHFKBKOTGHK-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
Property Insights of ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate has 0 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 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The CAS number of ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 142650-14-4.
What is the molecular formula of ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular formula of ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is C13H11NO4.
What is the molecular weight of ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
The molecular weight of ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate is 245.0688 g/mol.
Where can I buy ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
You can request a quote for ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for ethyl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.