ethyl 1-methyl-1H-indole-2-carboxylate
TL;DR: ethyl 1-methyl-1H-indole-2-carboxylate (CAS 97608-35-0) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methylindole-2-carboxylate
Also Known As: ethyl 1-methyl-1H-indole-2-carboxylate, ethyl 1-methylindole-2-carboxylate, ETHYL 1-METHYL-INDOLE-2-CARBOXYLATE, ChemDiv3_015773, 1-methylindole-2-carboxylic acid ethyl ester
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 97608-35-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2N1C |
| InChIKey | FRLLPWADCHCBBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 1-methyl-1H-indole-2-carboxylate (CAS 97608-35-0), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: ethyl 1-methylindole-2-carboxylate.
Chemical Property Profile of ethyl 1-methyl-1H-indole-2-carboxylate
Property Insights of ethyl 1-methyl-1H-indole-2-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-methyl-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 31.2 Ų, ethyl 1-methyl-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-methyl-1H-indole-2-carboxylate has 0 hydrogen bond donor(s) and 2 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 ethyl 1-methyl-1H-indole-2-carboxylate?
The CAS number of ethyl 1-methyl-1H-indole-2-carboxylate is 97608-35-0.
What is the molecular formula of ethyl 1-methyl-1H-indole-2-carboxylate?
The molecular formula of ethyl 1-methyl-1H-indole-2-carboxylate is C12H13NO2.
What is the molecular weight of ethyl 1-methyl-1H-indole-2-carboxylate?
The molecular weight of ethyl 1-methyl-1H-indole-2-carboxylate is 203.09 g/mol.
Where can I buy ethyl 1-methyl-1H-indole-2-carboxylate?
You can request a quote for ethyl 1-methyl-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-methyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-methyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.