Indole-5-carbonitrile, 3-(2-methylpropionyl)-
TL;DR: Indole-5-carbonitrile, 3-(2-methylpropionyl)- (CAS 17380-21-1) is a chemical compound with molecular formula C13H12N2O and molecular weight 212.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpropanoyl)-1H-indole-5-carbonitrile
Also Known As: 5-Cyano-3-indolyl isopropyl ketone, 3-(2-Methylpropionyl)-5-indolecarbonitrile, INDOLE-5-CARBONITRILE, 3-(2-METHYLPROPIONYL)-, 3-(2-methylpropanoyl)-1H-indole-5-carbonitrile, 5-22-06-00348 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C13H12N2O |
| Molecular Weight | 212.09496 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 56.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.09496 Da |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
| SMILES | CC(C)C(=O)C1=CNC2=C1C=C(C=C2)C#N |
| InChIKey | SQGKUEKDQMXGAI-UHFFFAOYSA-N |
Chemical Property Profile of Indole-5-carbonitrile, 3-(2-methylpropionyl)-
Property Insights of Indole-5-carbonitrile, 3-(2-methylpropionyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-5-carbonitrile, 3-(2-methylpropionyl)-. With a topological polar surface area (TPSA) of 56.7 Ų, Indole-5-carbonitrile, 3-(2-methylpropionyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-5-carbonitrile, 3-(2-methylpropionyl)- 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-(2-methylpropionyl)-?
The CAS number of Indole-5-carbonitrile, 3-(2-methylpropionyl)- is 17380-21-1.
What is the molecular formula of Indole-5-carbonitrile, 3-(2-methylpropionyl)-?
The molecular formula of Indole-5-carbonitrile, 3-(2-methylpropionyl)- is C13H12N2O.
What is the molecular weight of Indole-5-carbonitrile, 3-(2-methylpropionyl)-?
The molecular weight of Indole-5-carbonitrile, 3-(2-methylpropionyl)- is 212.09496 g/mol.
Where can I buy Indole-5-carbonitrile, 3-(2-methylpropionyl)-?
You can request a quote for Indole-5-carbonitrile, 3-(2-methylpropionyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Indole-5-carbonitrile, 3-(2-methylpropionyl)-?
Yes, CoreyChem provides custom synthesis services for Indole-5-carbonitrile, 3-(2-methylpropionyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.