ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate
TL;DR: ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate (CAS 65880-18-4) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Also Known As: ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate, 4,5,6,7-TETRAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER, 2-carbethoxy-4,5-tetramethylenepyrrole, Ethyl 4,5,6.7-tetrahydroindole-2-carboxylate, Ethyl4,5,6,7-Tetrahydro-1H-indole-2-carboxylate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 65880-18-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N1)CCCC2 |
| InChIKey | LOSQSLWRXZTVTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate (CAS 65880-18-4), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Property Insights of ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate has 1 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 4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
The CAS number of ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate is 65880-18-4.
What is the molecular formula of ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
The molecular formula of ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate is C11H15NO2.
What is the molecular weight of ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
The molecular weight of ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate is 193.11 g/mol.
Where can I buy ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
You can request a quote for ethyl 4,5,6,7-tetrahydro-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 4,5,6,7-tetrahydro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4,5,6,7-tetrahydro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.