2'-Nitroflavone
TL;DR: 2'-Nitroflavone (CAS 53277-26-2) is a chemical compound with molecular formula C15H9NO4 and molecular weight 267.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitrophenyl)chromen-4-one
Also Known As: 2'-nitroflavone, 2 -Nitroflavone, 2-(2-nitrophenyl)chromen-4-one, 2-(2-Nitrophenyl)-4H-chromen-4-one, 2-(2-Nitro-phenyl)-chromen-4-one
| Molecular Formula | C15H9NO4 |
|---|---|
| Molecular Weight | 267.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.05316 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 53277-26-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC(=O)C3=CC=CC=C3O2)[N+](=O)[O-] |
| InChIKey | CLWQBDUHBCAEBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Nitroflavone (CAS 53277-26-2), with molecular formula C15H9NO4 and molecular weight 267.05 g/mol. IUPAC: 2-(2-nitrophenyl)chromen-4-one.
Chemical Property Profile of 2'-Nitroflavone
Property Insights of 2'-Nitroflavone
The XLogP value of 3.4 indicates that 2'-Nitroflavone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Nitroflavone. Following Lipinski's Rule of Five, 2'-Nitroflavone has 0 hydrogen bond donor(s) and 4 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 2'-Nitroflavone?
The CAS number of 2'-Nitroflavone is 53277-26-2.
What is the molecular formula of 2'-Nitroflavone?
The molecular formula of 2'-Nitroflavone is C15H9NO4.
What is the molecular weight of 2'-Nitroflavone?
The molecular weight of 2'-Nitroflavone is 267.05 g/mol.
Where can I buy 2'-Nitroflavone?
You can request a quote for 2'-Nitroflavone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Nitroflavone?
Yes, KEHONG BIO provides custom synthesis services for 2'-Nitroflavone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.