Nitroacenaphthene
TL;DR: Nitroacenaphthene (CAS 56286-55-6) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-1,2-dihydroacenaphthylene
Also Known As: Nitroacenaphthene, 1-nitroacenaphthene, 1-nitro-1,2-dihydroacenaphthylene, Acenaphthylene, 1,2-dihydronitro-
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.06332 |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 56286-55-6 |
|---|---|
| SMILES | C1C(C2=CC=CC3=C2C1=CC=C3)[N+](=O)[O-] |
| InChIKey | AVAGDIXDPQCKCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitroacenaphthene (CAS 56286-55-6), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 1-nitro-1,2-dihydroacenaphthylene.
Chemical Property Profile of Nitroacenaphthene
Property Insights of Nitroacenaphthene
The XLogP value of 3.0 indicates that Nitroacenaphthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Nitroacenaphthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitroacenaphthene 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 Nitroacenaphthene?
The CAS number of Nitroacenaphthene is 56286-55-6.
What is the molecular formula of Nitroacenaphthene?
The molecular formula of Nitroacenaphthene is C12H9NO2.
What is the molecular weight of Nitroacenaphthene?
The molecular weight of Nitroacenaphthene is 199.06 g/mol.
Where can I buy Nitroacenaphthene?
You can request a quote for Nitroacenaphthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitroacenaphthene?
Yes, KEHONG BIO provides custom synthesis services for Nitroacenaphthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.