1-(3-Nitro-1-pyrenyl)-ethanone
TL;DR: 1-(3-Nitro-1-pyrenyl)-ethanone (CAS 161334-04-9) is a chemical compound with molecular formula C18H11NO3 and molecular weight 289.07388 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-nitropyren-1-yl)ethanone
Also Known As: 1-(3-nitropyren-1-yl)ethanone, 1-(3-Nitro-1-pyrenyl)-ethanone, 1-Acetyl-3-nitropyrene, Ethanone,1-(3-nitro-1-pyrenyl)-, 1-(3-NITROPYREN-1-YL)ETHAN-1-ONE
Technical Specifications
| Molecular Formula | C18H11NO3 |
| Molecular Weight | 289.07388 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.07388 Da |
| Heavy Atoms | 22 |
| Complexity | 485.0 |
| SMILES | CC(=O)C1=CC(=C2C=CC3=CC=CC4=C3C2=C1C=C4)[N+](=O)[O-] |
| InChIKey | AXAFHZQFUHIWOR-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Nitro-1-pyrenyl)-ethanone
Property Insights of 1-(3-Nitro-1-pyrenyl)-ethanone
The XLogP value of 4.5 indicates that 1-(3-Nitro-1-pyrenyl)-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitro-1-pyrenyl)-ethanone. Following Lipinski's Rule of Five, 1-(3-Nitro-1-pyrenyl)-ethanone has 0 hydrogen bond donor(s) and 3 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-(3-Nitro-1-pyrenyl)-ethanone?
The CAS number of 1-(3-Nitro-1-pyrenyl)-ethanone is 161334-04-9.
What is the molecular formula of 1-(3-Nitro-1-pyrenyl)-ethanone?
The molecular formula of 1-(3-Nitro-1-pyrenyl)-ethanone is C18H11NO3.
What is the molecular weight of 1-(3-Nitro-1-pyrenyl)-ethanone?
The molecular weight of 1-(3-Nitro-1-pyrenyl)-ethanone is 289.07388 g/mol.
Where can I buy 1-(3-Nitro-1-pyrenyl)-ethanone?
You can request a quote for 1-(3-Nitro-1-pyrenyl)-ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Nitro-1-pyrenyl)-ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(3-Nitro-1-pyrenyl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.