5-Nitroacephenanthrylene
TL;DR: 5-Nitroacephenanthrylene (CAS 131747-24-5) is a chemical compound with molecular formula C16H9NO2 and molecular weight 247.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitroacephenanthrylene
Also Known As: 5-nitroacephenanthrylene, Acephenanthrylene, 5-nitro-, Acephenanthrylene,5-nitro-, Acephenanthrylene,5-nitro, J1.595.902I
Technical Specifications
| Molecular Formula | C16H9NO2 |
| Molecular Weight | 247.06332 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.06332 Da |
| Heavy Atoms | 19 |
| Complexity | 425.0 |
| SMILES | C1=CC=C2C(=C1)C=C3C(=CC4=C3C2=CC=C4)[N+](=O)[O-] |
| InChIKey | PNKLPKKJTZTUHW-UHFFFAOYSA-N |
Chemical Property Profile of 5-Nitroacephenanthrylene
Property Insights of 5-Nitroacephenanthrylene
The XLogP value of 4.5 indicates that 5-Nitroacephenanthrylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 5-Nitroacephenanthrylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Nitroacephenanthrylene 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 5-Nitroacephenanthrylene?
The CAS number of 5-Nitroacephenanthrylene is 131747-24-5.
What is the molecular formula of 5-Nitroacephenanthrylene?
The molecular formula of 5-Nitroacephenanthrylene is C16H9NO2.
What is the molecular weight of 5-Nitroacephenanthrylene?
The molecular weight of 5-Nitroacephenanthrylene is 247.06332 g/mol.
Where can I buy 5-Nitroacephenanthrylene?
You can request a quote for 5-Nitroacephenanthrylene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Nitroacephenanthrylene?
Yes, CoreyChem provides custom synthesis services for 5-Nitroacephenanthrylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.