1-Nitropyrene-4,5-quinone
TL;DR: 1-Nitropyrene-4,5-quinone (CAS 102822-04-8) is a chemical compound with molecular formula C16H7NO4 and molecular weight 277.0375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitropyrene-4,5-dione
Also Known As: 1-Nitropyrene-4,5-quinone, 1-nitropyrene-4,5-dione, 1-Nitro-4,5-pyrenedione, 4,5-Pyrenedione, 1-nitro-, Q2FA93J8ZJ
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H7NO4 |
| Molecular Weight | 277.0375 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.0375 Da |
| Heavy Atoms | 21 |
| Complexity | 511.0 |
| SMILES | C1=CC2=C3C(=C1)C(=O)C(=O)C4=C3C(=C(C=C4)[N+](=O)[O-])C=C2 |
| InChIKey | FFULSSWAQYOBLC-UHFFFAOYSA-N |
Chemical Property Profile of 1-Nitropyrene-4,5-quinone
Property Insights of 1-Nitropyrene-4,5-quinone
The XLogP value of 3.3 indicates that 1-Nitropyrene-4,5-quinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitropyrene-4,5-quinone. Following Lipinski's Rule of Five, 1-Nitropyrene-4,5-quinone has 0 hydrogen bond donor(s) and 4 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-Nitropyrene-4,5-quinone?
The CAS number of 1-Nitropyrene-4,5-quinone is 102822-04-8.
What is the molecular formula of 1-Nitropyrene-4,5-quinone?
The molecular formula of 1-Nitropyrene-4,5-quinone is C16H7NO4.
What is the molecular weight of 1-Nitropyrene-4,5-quinone?
The molecular weight of 1-Nitropyrene-4,5-quinone is 277.0375 g/mol.
Where can I buy 1-Nitropyrene-4,5-quinone?
You can request a quote for 1-Nitropyrene-4,5-quinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Nitropyrene-4,5-quinone?
Yes, CoreyChem provides custom synthesis services for 1-Nitropyrene-4,5-quinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.