1-Nitro-3-nitrosopyrene
TL;DR: 1-Nitro-3-nitrosopyrene (CAS 144886-19-1) 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-3-nitrosopyrene
Also Known As: 1-Nitro-3-nitrosopyrene, Pyrene,1-nitro-3-nitroso-, 6-tert-butylpicolinic acid, Pyrene, 1-nitro-3-nitroso-
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(=C1)C=CC4=C(C=C(C(=C43)C=C2)N=O)[N+](=O)[O-] |
| InChIKey | ORRRIEPKBDVTQB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Nitro-3-nitrosopyrene
Property Insights of 1-Nitro-3-nitrosopyrene
The XLogP value of 4.2 indicates that 1-Nitro-3-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-3-nitrosopyrene. Following Lipinski's Rule of Five, 1-Nitro-3-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-3-nitrosopyrene?
The CAS number of 1-Nitro-3-nitrosopyrene is 144886-19-1.
What is the molecular formula of 1-Nitro-3-nitrosopyrene?
The molecular formula of 1-Nitro-3-nitrosopyrene is C16H8N2O3.
What is the molecular weight of 1-Nitro-3-nitrosopyrene?
The molecular weight of 1-Nitro-3-nitrosopyrene is 276.0535 g/mol.
Where can I buy 1-Nitro-3-nitrosopyrene?
You can request a quote for 1-Nitro-3-nitrosopyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Nitro-3-nitrosopyrene?
Yes, CoreyChem provides custom synthesis services for 1-Nitro-3-nitrosopyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.