3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester
TL;DR: 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester (CAS 34934-81-1) is a chemical compound with molecular formula C21H27NO6 and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-(3-ethoxy-3-oxopropyl)-7-ethyl-1H-indole-2,5-dicarboxylate
Also Known As: diethyl 3-(3-ethoxy-3-oxopropyl)-7-ethyl-1H-indole-2,5-dicarboxylate, Diethyl 3-(2-ethoxycarbonylethyl)-7-ethyl-1H-indole-2,5-dicarboxylate, 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester, 683-788-4, RefChem:490976
| Molecular Formula | C21H27NO6 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | 3.5794 |
| Topological Polar Surface Area | 94.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.18384 |
| Heavy Atoms | 28 |
| Complexity | 867.39325 |
Chemical Identifiers
| CAS Number | 34934-81-1 |
|---|---|
| SMILES | CCC1=C2C(=CC(=C1)C(=O)OCC)C(=C(N2)C(=O)OCC)CCC(=O)OCC |
Product Overview
3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester (CAS 34934-81-1), with molecular formula C21H27NO6 and molecular weight 389.18 g/mol. IUPAC: diethyl 3-(3-ethoxy-3-oxopropyl)-7-ethyl-1H-indole-2,5-dicarboxylate.
Chemical Property Profile of 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester
Property Insights of 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester
The XLogP value of 3.5794 indicates that 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester. Following Lipinski's Rule of Five, 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester has 1 hydrogen bond donor(s) and 6 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-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester?
The CAS number of 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester is 34934-81-1.
What is the molecular formula of 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester?
The molecular formula of 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester is C21H27NO6.
What is the molecular weight of 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester?
The molecular weight of 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester is 389.18 g/mol.
Where can I buy 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester?
You can request a quote for 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Ethoxycarbonyl-ethyl)-7-ethyl-1H-indole-2,5-dicarboxylic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.