Ethyl 5-methoxyindole-2-carboxylate
TL;DR: Ethyl 5-methoxyindole-2-carboxylate (CAS 4792-58-9) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-methoxy-1H-indole-2-carboxylate
Also Known As: Ethyl 5-methoxyindole-2-carboxylate, ethyl 5-methoxy-1H-indole-2-carboxylate, Ethyl5-methoxyindole-2-carboxylate, 5-MeO-ICA-OEt, 5-Methoxyindole-2-carboxylic acid ethyl ester
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
| SMILES | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OC |
| InChIKey | NPIUAXNFAUGNHP-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-methoxyindole-2-carboxylate
Property Insights of Ethyl 5-methoxyindole-2-carboxylate
The XLogP value of 3.2 indicates that Ethyl 5-methoxyindole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, Ethyl 5-methoxyindole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-methoxyindole-2-carboxylate 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
What is the CAS number of Ethyl 5-methoxyindole-2-carboxylate?
The CAS number of Ethyl 5-methoxyindole-2-carboxylate is 4792-58-9.
What is the molecular formula of Ethyl 5-methoxyindole-2-carboxylate?
The molecular formula of Ethyl 5-methoxyindole-2-carboxylate is C12H13NO3.
What is the molecular weight of Ethyl 5-methoxyindole-2-carboxylate?
The molecular weight of Ethyl 5-methoxyindole-2-carboxylate is 219.08954 g/mol.
Where can I buy Ethyl 5-methoxyindole-2-carboxylate?
You can request a quote for Ethyl 5-methoxyindole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-methoxyindole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-methoxyindole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.