Ethyl 2-methyl-3-indoleacetate
TL;DR: Ethyl 2-methyl-3-indoleacetate (CAS 21909-49-9) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methyl-1H-indol-3-yl)acetate
Also Known As: Ethyl 2-methyl-3-indoleacetate, ethyl 2-(2-methyl-1H-indol-3-yl)acetate, 2-Methylindole-3-acetic acid, Ethyl 2-methylindoleacetate, Ethyl 2-methylindole-3-acetate
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 21909-49-9 |
|---|---|
| SMILES | CCOC(=O)CC1=C(NC2=CC=CC=C21)C |
| InChIKey | SLEXJGHKKHQSDC-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-3-indoleacetate (CAS 21909-49-9), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: ethyl 2-(2-methyl-1H-indol-3-yl)acetate.
Chemical Property Profile of Ethyl 2-methyl-3-indoleacetate
Property Insights of Ethyl 2-methyl-3-indoleacetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-3-indoleacetate. With a topological polar surface area (TPSA) of 42.1 Ų, Ethyl 2-methyl-3-indoleacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-3-indoleacetate 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 2-methyl-3-indoleacetate?
The CAS number of Ethyl 2-methyl-3-indoleacetate is 21909-49-9.
What is the molecular formula of Ethyl 2-methyl-3-indoleacetate?
The molecular formula of Ethyl 2-methyl-3-indoleacetate is C13H15NO2.
What is the molecular weight of Ethyl 2-methyl-3-indoleacetate?
The molecular weight of Ethyl 2-methyl-3-indoleacetate is 217.11 g/mol.
Where can I buy Ethyl 2-methyl-3-indoleacetate?
You can request a quote for Ethyl 2-methyl-3-indoleacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-3-indoleacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-3-indoleacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.