Ethyl indole-3-acrylate
TL;DR: Ethyl indole-3-acrylate (CAS 110110-37-7) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-3-(1H-indol-3-yl)prop-2-enoate
Also Known As: Ethyl indole-3-acrylate, Ethyl 3-(1H-indol-3-yl)acrylate, Ethylindole-3-acrylate, .trans-3-(, indole-3-acrylic acid ethyl ester
Technical Specifications
| Molecular Formula | C13H13NO2 |
| Molecular Weight | 215.09464 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.09464 Da |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
| SMILES | CCOC(=O)/C=C/C1=CNC2=CC=CC=C21 |
| InChIKey | OQJSITNIWIYWPU-BQYQJAHWSA-N |
Chemical Property Profile of Ethyl indole-3-acrylate
Property Insights of Ethyl indole-3-acrylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl indole-3-acrylate. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl indole-3-acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl indole-3-acrylate has 1 hydrogen bond donor(s) and 2 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 indole-3-acrylate?
The CAS number of Ethyl indole-3-acrylate is 110110-37-7.
What is the molecular formula of Ethyl indole-3-acrylate?
The molecular formula of Ethyl indole-3-acrylate is C13H13NO2.
What is the molecular weight of Ethyl indole-3-acrylate?
The molecular weight of Ethyl indole-3-acrylate is 215.09464 g/mol.
Where can I buy Ethyl indole-3-acrylate?
You can request a quote for Ethyl indole-3-acrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl indole-3-acrylate?
Yes, CoreyChem provides custom synthesis services for Ethyl indole-3-acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.