Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)-
TL;DR: Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)- (CAS 101831-80-5) is a chemical compound with molecular formula C18H23N3 and molecular weight 281.1892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(azonan-1-ylmethyl)-1H-indole-5-carbonitrile
Also Known As: 5-Cyano-3-(octamethyleneiminomethyl)indole, INDOLE-5-CARBONITRILE, 3-(OCTAHYDRO-1H-AZONIN-1-YLMETHYL)-, 3-(Octahydro-1H-azonin-1-ylmethyl)-5-indolecarbonitrile, 3-[(azonan-1-yl)methyl]-1H-indole-5-carbonitrile, 3-(azonan-1-ylmethyl)-1H-indole-5-carbonitrile
Technical Specifications
| Molecular Formula | C18H23N3 |
| Molecular Weight | 281.1892 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.1892 Da |
| Heavy Atoms | 21 |
| Complexity | 362.0 |
| SMILES | C1CCCCN(CCC1)CC2=CNC3=C2C=C(C=C3)C#N |
| InChIKey | GBMQMMJTCCZLQG-UHFFFAOYSA-N |
Chemical Property Profile of Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)-
Property Insights of Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)-
The XLogP value of 3.9 indicates that Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.8 Ų, Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)- 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-(octahydro-1H-azonin-1-ylmethyl)-?
The CAS number of Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)- is 101831-80-5.
What is the molecular formula of Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)-?
The molecular formula of Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)- is C18H23N3.
What is the molecular weight of Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)-?
The molecular weight of Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)- is 281.1892 g/mol.
Where can I buy Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)-?
You can request a quote for Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)-?
Yes, CoreyChem provides custom synthesis services for Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.