3-Nitro-9H-fluoren-9-one
TL;DR: 3-Nitro-9H-fluoren-9-one (CAS 42135-22-8) is a chemical compound with molecular formula C13H7NO3 and molecular weight 225.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrofluoren-9-one
Also Known As: 3-Nitrofluorenone, 3-Nitro-9-fluorenone, 3-Nitrofluoren-9-one, 3-Nitro-9H-fluoren-9-one, 9H-Fluoren-9-one, 3-nitro-
| Molecular Formula | C13H7NO3 |
|---|---|
| Molecular Weight | 225.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.04259 |
| Heavy Atoms | 17 |
| Complexity | 349.0 |
| Melting Point | 430 to 225.0 °C |
| Vapor Pressure | 0.00000089 [mmHg] |
Chemical Identifiers
| CAS Number | 42135-22-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C2=O)C=CC(=C3)[N+](=O)[O-] |
| InChIKey | GLVSVKSIYXDZHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitro-9H-fluoren-9-one (CAS 42135-22-8), with molecular formula C13H7NO3 and molecular weight 225.04 g/mol. IUPAC: 3-nitrofluoren-9-one.
Chemical Property Profile of 3-Nitro-9H-fluoren-9-one
Property Insights of 3-Nitro-9H-fluoren-9-one
The XLogP value of 3.1 indicates that 3-Nitro-9H-fluoren-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-9H-fluoren-9-one. Following Lipinski's Rule of Five, 3-Nitro-9H-fluoren-9-one 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
Frequently Asked Questions
What is the CAS number of 3-Nitro-9H-fluoren-9-one?
The CAS number of 3-Nitro-9H-fluoren-9-one is 42135-22-8.
What is the molecular formula of 3-Nitro-9H-fluoren-9-one?
The molecular formula of 3-Nitro-9H-fluoren-9-one is C13H7NO3.
What is the molecular weight of 3-Nitro-9H-fluoren-9-one?
The molecular weight of 3-Nitro-9H-fluoren-9-one is 225.04 g/mol.
Where can I buy 3-Nitro-9H-fluoren-9-one?
You can request a quote for 3-Nitro-9H-fluoren-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-9H-fluoren-9-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-9H-fluoren-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.