Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate
TL;DR: Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate (CAS 126857-81-6) is a chemical compound with molecular formula C13H20NO3 and molecular weight 238.14432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: ETPOP, ethyl (E)-3-(1-, Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate, ethyl (E)-3-(1-On1-oxidanyl-2,2,5,5-tetramethylpyrrol-3-yl)prop-2-enoate
Technical Specifications
| Molecular Formula | C13H20NO3 |
| Molecular Weight | 238.14432 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 30.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.14432 Da |
| Heavy Atoms | 17 |
| Complexity | 367.0 |
| SMILES | CCOC(=O)/C=C/C1=CC(N(C1(C)C)[O])(C)C |
| InChIKey | QPYPYSBAQBKSEV-BQYQJAHWSA-N |
Chemical Property Profile of Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate
Property Insights of Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate. With a topological polar surface area (TPSA) of 30.5 Ų, Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate has 0 hydrogen bond donor(s) and 3 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-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate?
The CAS number of Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate is 126857-81-6.
What is the molecular formula of Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate?
The molecular formula of Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate is C13H20NO3.
What is the molecular weight of Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate?
The molecular weight of Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate is 238.14432 g/mol.
Where can I buy Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate?
You can request a quote for Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-(2,2,5,5-tetramethylpyrrollinyl-1-oxyl)propen-2-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.