1-硝基芘
TL;DR: 1-硝基芘 (CAS 5522-43-0) is a chemical compound with molecular formula C16H9NO2 and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-硝基芘
1-nitropyrene
Also Known As: 1-NITROPYRENE, 3-Nitropyrene, Pyrene, 1-nitro-, Pyrene, nitro-, NITROPYRENE
| Molecular Formula | C16H9NO2 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.06332 |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
| Melting Point | 155 °C |
| Solubility | Very soluble in diethyl ether; soluble in ethanol and benzene at 15 °C; soluble in toluene and tetrahydrofluorenone. |
| Vapor Pressure | 0.00000006 [mmHg] |
Chemical Identifiers
| CAS Number | 5522-43-0 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-] |
| InChIKey | ALRLPDGCPYIVHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-硝基芘 (CAS 5522-43-0), with molecular formula C16H9NO2 and molecular weight 247.06 g/mol. IUPAC: 1-nitropyrene.
Chemical Property Profile of 1-硝基芘
Property Insights of 1-硝基芘
The XLogP value of 5.0 indicates that 1-硝基芘 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-硝基芘 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-硝基芘 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-硝基芘?
The CAS number of 1-硝基芘 is 5522-43-0.
What is the molecular formula of 1-硝基芘?
The molecular formula of 1-硝基芘 is C16H9NO2.
What is the molecular weight of 1-硝基芘?
The molecular weight of 1-硝基芘 is 247.06 g/mol.
Where can I buy 1-硝基芘?
You can request a quote for 1-硝基芘 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-硝基芘?
Yes, KEHONG BIO provides custom synthesis services for 1-硝基芘 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.