Indole-5-carbonitrile, 3-acetyl-
TL;DR: Indole-5-carbonitrile, 3-acetyl- (CAS 17380-19-7) is a chemical compound with molecular formula C11H8N2O and molecular weight 184.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetyl-1H-indole-5-carbonitrile
Also Known As: 3-acetyl-1H-indole-5-carbonitrile, 3-Acetylindole-5-carbonitrile, 5-Cyano-3-indolylmethyl ketone, 3-Acetyl-indole-5-carbonitrile, INDOLE-5-CARBONITRILE, 3-ACETYL-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8N2O |
| Molecular Weight | 184.06366 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06366 Da |
| Heavy Atoms | 14 |
| Complexity | 291.0 |
| SMILES | CC(=O)C1=CNC2=C1C=C(C=C2)C#N |
| InChIKey | OZQLJNFXIPOLHE-UHFFFAOYSA-N |
Chemical Property Profile of Indole-5-carbonitrile, 3-acetyl-
Property Insights of Indole-5-carbonitrile, 3-acetyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-5-carbonitrile, 3-acetyl-. With a topological polar surface area (TPSA) of 56.7 Ų, Indole-5-carbonitrile, 3-acetyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-5-carbonitrile, 3-acetyl- 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
What is the CAS number of Indole-5-carbonitrile, 3-acetyl-?
The CAS number of Indole-5-carbonitrile, 3-acetyl- is 17380-19-7.
What is the molecular formula of Indole-5-carbonitrile, 3-acetyl-?
The molecular formula of Indole-5-carbonitrile, 3-acetyl- is C11H8N2O.
What is the molecular weight of Indole-5-carbonitrile, 3-acetyl-?
The molecular weight of Indole-5-carbonitrile, 3-acetyl- is 184.06366 g/mol.
Where can I buy Indole-5-carbonitrile, 3-acetyl-?
You can request a quote for Indole-5-carbonitrile, 3-acetyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Indole-5-carbonitrile, 3-acetyl-?
Yes, CoreyChem provides custom synthesis services for Indole-5-carbonitrile, 3-acetyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.