1-Nitropyrene-9,10-oxide
TL;DR: 1-Nitropyrene-9,10-oxide (CAS 105596-43-8) is a chemical compound with molecular formula C16H9NO3 and molecular weight 263.05826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-nitro-3-oxapentacyclo[7.6.2.02,4.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene
Also Known As: 1-Nitropyrene-9,10-oxide, Perfucol, 1-Nitropyrene 9,10-oxide, 1-NP 9,10-oxide, 9,10-EDNP
Technical Specifications
| Molecular Formula | C16H9NO3 |
| Molecular Weight | 263.05826 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.05826 Da |
| Heavy Atoms | 20 |
| Complexity | 447.0 |
| SMILES | C1=CC2=C3C(=C1)C4C(O4)C5=C(C=CC(=C53)C=C2)[N+](=O)[O-] |
| InChIKey | LMLNXNLVGAZZPV-UHFFFAOYSA-N |
Chemical Property Profile of 1-Nitropyrene-9,10-oxide
Property Insights of 1-Nitropyrene-9,10-oxide
The XLogP value of 3.3 indicates that 1-Nitropyrene-9,10-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, 1-Nitropyrene-9,10-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitropyrene-9,10-oxide 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-Nitropyrene-9,10-oxide?
The CAS number of 1-Nitropyrene-9,10-oxide is 105596-43-8.
What is the molecular formula of 1-Nitropyrene-9,10-oxide?
The molecular formula of 1-Nitropyrene-9,10-oxide is C16H9NO3.
What is the molecular weight of 1-Nitropyrene-9,10-oxide?
The molecular weight of 1-Nitropyrene-9,10-oxide is 263.05826 g/mol.
Where can I buy 1-Nitropyrene-9,10-oxide?
You can request a quote for 1-Nitropyrene-9,10-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Nitropyrene-9,10-oxide?
Yes, CoreyChem provides custom synthesis services for 1-Nitropyrene-9,10-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.