3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid
TL;DR: 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid (CAS 100616-07-7) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-aminoethyl)-5-ethoxy-1H-indole-2-carboxylic acid
Also Known As: 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid, 3-(2-aminoethyl)-5-ethoxy-1H-indole-2-carboxylic acid, BAS 01591861, 3-(2-aminoethyl)-5-ethoxyindole-2-carboxylic acid, 3-(2-amino-ethyl)-5-ethoxy-indole-2-carboxylic acid
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 100616-07-7 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(=C2CCN)C(=O)O |
| InChIKey | PADHQPDKPCPQGV-UHFFFAOYSA-N |
Product Overview
3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid (CAS 100616-07-7), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: 3-(2-aminoethyl)-5-ethoxy-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid
Property Insights of 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid
The XLogP value of -0.7 indicates that 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid has 3 hydrogen bond donor(s) and 4 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 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid?
The CAS number of 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid is 100616-07-7.
What is the molecular formula of 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid?
The molecular formula of 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid is C13H16N2O3.
What is the molecular weight of 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid?
The molecular weight of 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid is 248.12 g/mol.
Where can I buy 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid?
You can request a quote for 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Amino-ethyl)-5-ethoxy-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.