6-Nitro-2-benzopyrone
TL;DR: 6-Nitro-2-benzopyrone (CAS 2725-81-7) is a chemical compound with molecular formula C9H5NO4 and molecular weight 191.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitrochromen-2-one
Also Known As: 6-Nitrocoumarin, 6-Nitro-2H-chromen-2-one, 6-nitrochromen-2-one, 6-Nitro-2-benzopyrone, 6-nitro coumarin
| Molecular Formula | C9H5NO4 |
|---|---|
| Molecular Weight | 191.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.02185 |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 2725-81-7 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-] |
| InChIKey | RMERXEXZXIVNBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-2-benzopyrone (CAS 2725-81-7), with molecular formula C9H5NO4 and molecular weight 191.02 g/mol. IUPAC: 6-nitrochromen-2-one.
Chemical Property Profile of 6-Nitro-2-benzopyrone
Property Insights of 6-Nitro-2-benzopyrone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-2-benzopyrone. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-2-benzopyrone. Following Lipinski's Rule of Five, 6-Nitro-2-benzopyrone 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 6-Nitro-2-benzopyrone?
The CAS number of 6-Nitro-2-benzopyrone is 2725-81-7.
What is the molecular formula of 6-Nitro-2-benzopyrone?
The molecular formula of 6-Nitro-2-benzopyrone is C9H5NO4.
What is the molecular weight of 6-Nitro-2-benzopyrone?
The molecular weight of 6-Nitro-2-benzopyrone is 191.02 g/mol.
Where can I buy 6-Nitro-2-benzopyrone?
You can request a quote for 6-Nitro-2-benzopyrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-2-benzopyrone?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-2-benzopyrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.