3-Acetylindolizine-1-carbonitrile
TL;DR: 3-Acetylindolizine-1-carbonitrile (CAS 158670-17-8) 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-acetylindolizine-1-carbonitrile
Also Known As: 3-acetylindolizine-1-carbonitrile, 3-ACETYL-1-INDOLIZINECARBONITRILE, 1-Indolizinecarbonitrile, 3-acetyl-, 1-Indolizinecarbonitrile,3-acetyl-, AA-504/31992019
Technical Specifications
| Molecular Formula | C11H8N2O |
| Molecular Weight | 184.06366 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06366 Da |
| Heavy Atoms | 14 |
| Complexity | 291.0 |
| SMILES | CC(=O)C1=CC(=C2N1C=CC=C2)C#N |
| InChIKey | HTBHFNNNADTLCI-UHFFFAOYSA-N |
Chemical Property Profile of 3-Acetylindolizine-1-carbonitrile
Property Insights of 3-Acetylindolizine-1-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetylindolizine-1-carbonitrile. With a topological polar surface area (TPSA) of 45.3 Ų, 3-Acetylindolizine-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetylindolizine-1-carbonitrile 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
What is the CAS number of 3-Acetylindolizine-1-carbonitrile?
The CAS number of 3-Acetylindolizine-1-carbonitrile is 158670-17-8.
What is the molecular formula of 3-Acetylindolizine-1-carbonitrile?
The molecular formula of 3-Acetylindolizine-1-carbonitrile is C11H8N2O.
What is the molecular weight of 3-Acetylindolizine-1-carbonitrile?
The molecular weight of 3-Acetylindolizine-1-carbonitrile is 184.06366 g/mol.
Where can I buy 3-Acetylindolizine-1-carbonitrile?
You can request a quote for 3-Acetylindolizine-1-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Acetylindolizine-1-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3-Acetylindolizine-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.