1-Nitrofluoranthene
TL;DR: 1-Nitrofluoranthene (CAS 13177-28-1) 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.
1-nitrofluoranthene
Also Known As: 1-Nitrofluoranthene, Fluoranthene, 1-nitro-, 1-nitrofluorantene, 7-Nitrofluoranthene, NITROFLUORANTHENE
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H9NO2 |
| Molecular Weight | 247.06332 g/mol |
| XLogP | 4.3 |
| 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 | 377.0 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC4=C3C2=C(C=C4)[N+](=O)[O-] |
| InChIKey | AWYZHUPAWKZJSL-UHFFFAOYSA-N |
Chemical Property Profile of 1-Nitrofluoranthene
Property Insights of 1-Nitrofluoranthene
The XLogP value of 4.3 indicates that 1-Nitrofluoranthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitrofluoranthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitrofluoranthene 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 1-Nitrofluoranthene?
The CAS number of 1-Nitrofluoranthene is 13177-28-1.
What is the molecular formula of 1-Nitrofluoranthene?
The molecular formula of 1-Nitrofluoranthene is C16H9NO2.
What is the molecular weight of 1-Nitrofluoranthene?
The molecular weight of 1-Nitrofluoranthene is 247.06332 g/mol.
Where can I buy 1-Nitrofluoranthene?
You can request a quote for 1-Nitrofluoranthene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Nitrofluoranthene?
Yes, CoreyChem provides custom synthesis services for 1-Nitrofluoranthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.