Ethyl Indole-3-carboxylate
TL;DR: Ethyl Indole-3-carboxylate (CAS 776-41-0) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1H-indole-3-carboxylate
Also Known As: Ethyl indole-3-carboxylate, ethyl 1H-indole-3-carboxylate, Indole-3-carboxylic acid ethyl ester, 1H-indole-3-carboxylic acid ethyl ester, (-)-alpha-Cubebene
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 776-41-0 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=CC=CC=C21 |
| InChIKey | XOUHVMVYFOXTMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl Indole-3-carboxylate (CAS 776-41-0), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: ethyl 1H-indole-3-carboxylate.
Chemical Property Profile of Ethyl Indole-3-carboxylate
Property Insights of Ethyl Indole-3-carboxylate
The XLogP value of 3.0 indicates that Ethyl Indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl Indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl Indole-3-carboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl Indole-3-carboxylate?
The CAS number of Ethyl Indole-3-carboxylate is 776-41-0.
What is the molecular formula of Ethyl Indole-3-carboxylate?
The molecular formula of Ethyl Indole-3-carboxylate is C11H11NO2.
What is the molecular weight of Ethyl Indole-3-carboxylate?
The molecular weight of Ethyl Indole-3-carboxylate is 189.08 g/mol.
Where can I buy Ethyl Indole-3-carboxylate?
You can request a quote for Ethyl Indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl Indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl Indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.