1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid
TL;DR: 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid (CAS 100372-60-9) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid
Also Known As: 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid, 1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid, BAS 12067775, 1-ethyl-5-methoxy-2-methyl-indole-3-carboxylic acid, 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylicacid
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 100372-60-9 |
|---|---|
| SMILES | CCN1C(=C(C2=C1C=CC(=C2)OC)C(=O)O)C |
| InChIKey | FLWUGEDKKNENRR-UHFFFAOYSA-N |
Product Overview
1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid (CAS 100372-60-9), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 1-ethyl-5-methoxy-2-methylindole-3-carboxylic acid.
Chemical Property Profile of 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid
Property Insights of 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid. With a topological polar surface area (TPSA) of 51.5 Ų, 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid has 1 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 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid?
The CAS number of 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid is 100372-60-9.
What is the molecular formula of 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid?
The molecular formula of 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid is C13H15NO3.
What is the molecular weight of 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid?
The molecular weight of 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid is 233.11 g/mol.
Where can I buy 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid?
You can request a quote for 1-Ethyl-5-methoxy-2-methyl-1H-indole-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 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.