3-Nitroacenaphthene
TL;DR: 3-Nitroacenaphthene (CAS 3807-77-0) 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.
3-nitro-1,2-dihydroacenaphthylene
Also Known As: 3-Nitroacenaphthene, 3-Nitro-1,2-dihydroacenaphthylene, Acenaphthene, 3-nitro-, 3-Nitro-acenaphthene, 1,2-Dihydro-3-nitroacenaphthylene
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 3.3 |
| 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 | 3807-77-0 |
|---|---|
| SMILES | C1CC2=C(C=CC3=C2C1=CC=C3)[N+](=O)[O-] |
| InChIKey | WTRQPBAHQILXND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitroacenaphthene (CAS 3807-77-0), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 3-nitro-1,2-dihydroacenaphthylene.
Chemical Property Profile of 3-Nitroacenaphthene
Property Insights of 3-Nitroacenaphthene
The XLogP value of 3.3 indicates that 3-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, 3-Nitroacenaphthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Nitroacenaphthene?
The CAS number of 3-Nitroacenaphthene is 3807-77-0.
What is the molecular formula of 3-Nitroacenaphthene?
The molecular formula of 3-Nitroacenaphthene is C12H9NO2.
What is the molecular weight of 3-Nitroacenaphthene?
The molecular weight of 3-Nitroacenaphthene is 199.06 g/mol.
Where can I buy 3-Nitroacenaphthene?
You can request a quote for 3-Nitroacenaphthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitroacenaphthene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitroacenaphthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.