Pyrenecarbonitrile
TL;DR: Pyrenecarbonitrile (CAS 83536-57-6) is a chemical compound with molecular formula C17H9N and molecular weight 227.0735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyrene-2-carbonitrile
Also Known As: 2-Cyanopyrene, pyrene-2-carbonitrile, PYRENECARBONITRILE, J1.753.918C
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H9N |
| Molecular Weight | 227.0735 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.0735 Da |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)C#N)C=C2 |
| InChIKey | OMIHXOAMBGZVHH-UHFFFAOYSA-N |
Chemical Property Profile of Pyrenecarbonitrile
Property Insights of Pyrenecarbonitrile
The XLogP value of 4.7 indicates that Pyrenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Pyrenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrenecarbonitrile 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 Pyrenecarbonitrile?
The CAS number of Pyrenecarbonitrile is 83536-57-6.
What is the molecular formula of Pyrenecarbonitrile?
The molecular formula of Pyrenecarbonitrile is C17H9N.
What is the molecular weight of Pyrenecarbonitrile?
The molecular weight of Pyrenecarbonitrile is 227.0735 g/mol.
Where can I buy Pyrenecarbonitrile?
You can request a quote for Pyrenecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrenecarbonitrile?
Yes, CoreyChem provides custom synthesis services for Pyrenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.