3-Nitrofluoranthene
TL;DR: 3-Nitrofluoranthene (CAS 892-21-7) 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.
3-nitrofluoranthene
Also Known As: 3-NITROFLUORANTHENE, Fluoranthene, 3-nitro-, 4-Nitrofluoranthene, 3-Nitro-fluoranthene, NITROFLUORANTHENE (purity)
| Molecular Formula | C16H9NO2 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 4.7 |
| 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 |
Chemical Identifiers
| CAS Number | 892-21-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)[N+](=O)[O-] |
| InChIKey | PIHGQKMEAMSUNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrofluoranthene (CAS 892-21-7), with molecular formula C16H9NO2 and molecular weight 247.06 g/mol. IUPAC: 3-nitrofluoranthene.
Chemical Property Profile of 3-Nitrofluoranthene
Property Insights of 3-Nitrofluoranthene
The XLogP value of 4.7 indicates that 3-Nitrofluoranthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 3-Nitrofluoranthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitrofluoranthene 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 3-Nitrofluoranthene?
The CAS number of 3-Nitrofluoranthene is 892-21-7.
What is the molecular formula of 3-Nitrofluoranthene?
The molecular formula of 3-Nitrofluoranthene is C16H9NO2.
What is the molecular weight of 3-Nitrofluoranthene?
The molecular weight of 3-Nitrofluoranthene is 247.06 g/mol.
Where can I buy 3-Nitrofluoranthene?
You can request a quote for 3-Nitrofluoranthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrofluoranthene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrofluoranthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.