Ethyl 1H-indole-3-acetate
TL;DR: Ethyl 1H-indole-3-acetate (CAS 778-82-5) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1H-indol-3-yl)acetate
Also Known As: Ethyl 3-indoleacetate, ethyl 2-(1H-indol-3-yl)acetate, Ethyl indole-3-acetate, Ethyl indol-3-ylacetate, IAA Ethyl Ester
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 778-82-5 |
|---|---|
| SMILES | CCOC(=O)CC1=CNC2=CC=CC=C21 |
| InChIKey | HUDBDWIQSIGUDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1H-indole-3-acetate (CAS 778-82-5), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: ethyl 2-(1H-indol-3-yl)acetate.
Chemical Property Profile of Ethyl 1H-indole-3-acetate
Property Insights of Ethyl 1H-indole-3-acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1H-indole-3-acetate. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 1H-indole-3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1H-indole-3-acetate 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 1H-indole-3-acetate?
The CAS number of Ethyl 1H-indole-3-acetate is 778-82-5.
What is the molecular formula of Ethyl 1H-indole-3-acetate?
The molecular formula of Ethyl 1H-indole-3-acetate is C12H13NO2.
What is the molecular weight of Ethyl 1H-indole-3-acetate?
The molecular weight of Ethyl 1H-indole-3-acetate is 203.09 g/mol.
Where can I buy Ethyl 1H-indole-3-acetate?
You can request a quote for Ethyl 1H-indole-3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1H-indole-3-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1H-indole-3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.