Ethyl 3-indolylglyoxylate
TL;DR: Ethyl 3-indolylglyoxylate (CAS 51079-10-8) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(1H-indol-3-yl)-2-oxoacetate
Also Known As: ethyl 2-(1H-indol-3-yl)-2-oxoacetate, Lombazole, Ethyl indol-3-ylglyoxylate, (1H-Indol-3-yl)-oxo-acetic acid ethyl ester, Ethyl indole-3-glyoxylate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.0739 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.0739 Da |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
| SMILES | CCOC(=O)C(=O)C1=CNC2=CC=CC=C21 |
| InChIKey | WTPMFFQBDYIARF-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-indolylglyoxylate
Property Insights of Ethyl 3-indolylglyoxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-indolylglyoxylate. With a topological polar surface area (TPSA) of 59.2 Ų, Ethyl 3-indolylglyoxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-indolylglyoxylate has 1 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-indolylglyoxylate?
The CAS number of Ethyl 3-indolylglyoxylate is 51079-10-8.
What is the molecular formula of Ethyl 3-indolylglyoxylate?
The molecular formula of Ethyl 3-indolylglyoxylate is C12H11NO3.
What is the molecular weight of Ethyl 3-indolylglyoxylate?
The molecular weight of Ethyl 3-indolylglyoxylate is 217.0739 g/mol.
Where can I buy Ethyl 3-indolylglyoxylate?
You can request a quote for Ethyl 3-indolylglyoxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-indolylglyoxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-indolylglyoxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.