1-Ethyl-1H-indole-3-carbonitrile
TL;DR: 1-Ethyl-1H-indole-3-carbonitrile (CAS 128203-31-6) is a chemical compound with molecular formula C11H10N2 and molecular weight 170.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethylindole-3-carbonitrile
Also Known As: 1-ETHYL-1H-INDOLE-3-CARBONITRILE, 1-ethylindole-3-carbonitrile, 1H-Indole-3-carbonitrile, 1-ethyl-, 3479AD, J3.286.055I
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H10N2 |
| Molecular Weight | 170.0844 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 28.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.0844 Da |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
| SMILES | CCN1C=C(C2=CC=CC=C21)C#N |
| InChIKey | CSYGELDKHGSKMU-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethyl-1H-indole-3-carbonitrile
Property Insights of 1-Ethyl-1H-indole-3-carbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-1H-indole-3-carbonitrile. With a topological polar surface area (TPSA) of 28.7 Ų, 1-Ethyl-1H-indole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-1H-indole-3-carbonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Ethyl-1H-indole-3-carbonitrile?
The CAS number of 1-Ethyl-1H-indole-3-carbonitrile is 128203-31-6.
What is the molecular formula of 1-Ethyl-1H-indole-3-carbonitrile?
The molecular formula of 1-Ethyl-1H-indole-3-carbonitrile is C11H10N2.
What is the molecular weight of 1-Ethyl-1H-indole-3-carbonitrile?
The molecular weight of 1-Ethyl-1H-indole-3-carbonitrile is 170.0844 g/mol.
Where can I buy 1-Ethyl-1H-indole-3-carbonitrile?
You can request a quote for 1-Ethyl-1H-indole-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethyl-1H-indole-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-Ethyl-1H-indole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.