Ethyl 1H-indole-1-carboxylate
TL;DR: Ethyl 1H-indole-1-carboxylate (CAS 13307-67-0) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl indole-1-carboxylate
Also Known As: Ethyl 1H-indole-1-carboxylate, ethyl indole-1-carboxylate, 1-(Carbethoxy)indole, N-(Ethoxycarbonyl)indole, Ethyl 1-indolecarboxylate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.07898 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.07898 Da |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| SMILES | CCOC(=O)N1C=CC2=CC=CC=C21 |
| InChIKey | OEXNQFWEJRSZBW-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1H-indole-1-carboxylate
Property Insights of Ethyl 1H-indole-1-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1H-indole-1-carboxylate. With a topological polar surface area (TPSA) of 31.2 Ų, Ethyl 1H-indole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1H-indole-1-carboxylate has 0 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 1H-indole-1-carboxylate?
The CAS number of Ethyl 1H-indole-1-carboxylate is 13307-67-0.
What is the molecular formula of Ethyl 1H-indole-1-carboxylate?
The molecular formula of Ethyl 1H-indole-1-carboxylate is C11H11NO2.
What is the molecular weight of Ethyl 1H-indole-1-carboxylate?
The molecular weight of Ethyl 1H-indole-1-carboxylate is 189.07898 g/mol.
Where can I buy Ethyl 1H-indole-1-carboxylate?
You can request a quote for Ethyl 1H-indole-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1H-indole-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1H-indole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.