1-Nitro-8-nitrosopyrene
TL;DR: 1-Nitro-8-nitrosopyrene (CAS 100593-23-5) is a chemical compound with molecular formula C16H8N2O3 and molecular weight 276.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitro-8-nitrosopyrene
Also Known As: 1-Nitro-8-nitrosopyrene, 1-Nitroso-8-nitropyrene, L-nitroso-8-nitropyrene, Pyrene, 1-nitro-8-nitroso-, 8-Nitro-1-nitrosopyrene
Technical Specifications
| Molecular Formula | C16H8N2O3 |
| Molecular Weight | 276.0535 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.0535 Da |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
| SMILES | C1=CC2=C3C(=C(C=C2)[N+](=O)[O-])C=CC4=C(C=CC1=C43)N=O |
| InChIKey | PAJDGJYLNJGDDA-UHFFFAOYSA-N |
Chemical Property Profile of 1-Nitro-8-nitrosopyrene
Property Insights of 1-Nitro-8-nitrosopyrene
The XLogP value of 4.2 indicates that 1-Nitro-8-nitrosopyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitro-8-nitrosopyrene. Following Lipinski's Rule of Five, 1-Nitro-8-nitrosopyrene 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-Nitro-8-nitrosopyrene?
The CAS number of 1-Nitro-8-nitrosopyrene is 100593-23-5.
What is the molecular formula of 1-Nitro-8-nitrosopyrene?
The molecular formula of 1-Nitro-8-nitrosopyrene is C16H8N2O3.
What is the molecular weight of 1-Nitro-8-nitrosopyrene?
The molecular weight of 1-Nitro-8-nitrosopyrene is 276.0535 g/mol.
Where can I buy 1-Nitro-8-nitrosopyrene?
You can request a quote for 1-Nitro-8-nitrosopyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Nitro-8-nitrosopyrene?
Yes, CoreyChem provides custom synthesis services for 1-Nitro-8-nitrosopyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.