3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid
TL;DR: 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid (CAS 96296-38-7) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid
Also Known As: 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid, 2-Carboxy-1H-indole-3-acetic acid 3-ethyl ester, 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylicacid, 3-(ethoxycarbonylmethyl)-1H-indole-2-carboxylic Acid, 3-[(Ethoxycarbonyl)methyl]-1H-indole-2-carboxylic acid
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.9717 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 600.05707 |
Chemical Identifiers
| CAS Number | 96296-38-7 |
|---|---|
| SMILES | CCOC(=O)CC1=C(NC2=CC=CC=C21)C(=O)O |
Product Overview
3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid (CAS 96296-38-7), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid.
Chemical Property Profile of 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid
Property Insights of 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid
The XLogP value of 1.9717 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid has 2 hydrogen bond donor(s) and 3 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-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid?
The CAS number of 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid is 96296-38-7.
What is the molecular formula of 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid?
The molecular formula of 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid is C13H13NO4.
What is the molecular weight of 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid?
The molecular weight of 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid is 247.08 g/mol.
Where can I buy 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid?
You can request a quote for 3-(2-ethoxy-2-oxoethyl)-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-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.