2-Nitrobenzanthrone
TL;DR: 2-Nitrobenzanthrone (CAS 111326-48-8) is a chemical compound with molecular formula C17H9NO3 and molecular weight 275.05826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitrobenzo[b]phenalen-7-one
Also Known As: 2-nitrobenzanthrone, 2-Nitrobenzantrone, 2-nitrobenzo[b]phenalen-7-one, 2-Nitro-7H-benz[de]anthracen-7-one, 15-nitrotetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
Technical Specifications
| Molecular Formula | C17H9NO3 |
| Molecular Weight | 275.05826 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 275.05826 Da |
| Heavy Atoms | 21 |
| Complexity | 457.0 |
| SMILES | C1=CC=C2C(=C1)C3=C4C(=CC(=C3)[N+](=O)[O-])C=CC=C4C2=O |
| InChIKey | IQECYNRTSSZPRQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitrobenzanthrone
Property Insights of 2-Nitrobenzanthrone
The XLogP value of 4.1 indicates that 2-Nitrobenzanthrone 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 2-Nitrobenzanthrone. Following Lipinski's Rule of Five, 2-Nitrobenzanthrone 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
What is the CAS number of 2-Nitrobenzanthrone?
The CAS number of 2-Nitrobenzanthrone is 111326-48-8.
What is the molecular formula of 2-Nitrobenzanthrone?
The molecular formula of 2-Nitrobenzanthrone is C17H9NO3.
What is the molecular weight of 2-Nitrobenzanthrone?
The molecular weight of 2-Nitrobenzanthrone is 275.05826 g/mol.
Where can I buy 2-Nitrobenzanthrone?
You can request a quote for 2-Nitrobenzanthrone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitrobenzanthrone?
Yes, CoreyChem provides custom synthesis services for 2-Nitrobenzanthrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.