2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid
TL;DR: 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid (CAS 75996-85-9) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethoxy-2-oxoethyl)-1-methylindole-3-carboxylic acid
Also Known As: 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid, 2-Ethyl 3-carboxy-1-methyl-1H-indole-2-acetate, 2-(2-ethoxy-2-oxoethyl)-1-methylindole-3-carboxylic acid, 1H-Indole-2-acetic acid, 3-carboxy-1-methyl-, 2-ethyl ester, 2-(2-Ethoxy-2-oxoethyl)-1-methyl-1H-indole-3-carboxylic acid
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 75996-85-9 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C2=CC=CC=C2N1C)C(=O)O |
| InChIKey | FEBHIQDTVWTKHU-UHFFFAOYSA-N |
Product Overview
2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid (CAS 75996-85-9), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: 2-(2-ethoxy-2-oxoethyl)-1-methylindole-3-carboxylic acid.
Chemical Property Profile of 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid
Property Insights of 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid. Following Lipinski's Rule of Five, 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid has 1 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 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid?
The CAS number of 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid is 75996-85-9.
What is the molecular formula of 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid?
The molecular formula of 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid is C14H15NO4.
What is the molecular weight of 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid?
The molecular weight of 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid is 261.10 g/mol.
Where can I buy 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid?
You can request a quote for 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.