7-Nitrocoumarin
TL;DR: 7-Nitrocoumarin (CAS 19063-58-2) 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.
7-nitrochromen-2-one
Also Known As: 7-Nitrocoumarin, 7-nitro-2H-chromen-2-one, 7-nitrochromen-2-one, 7-Nitro-coumarin, 7-nitro-chromen-2-one
| Molecular Formula | C9H5NO4 |
|---|---|
| Molecular Weight | 191.02 g/mol |
| LogP | 1.8 |
| 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 | 19063-58-2 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CC(=O)O2)[N+](=O)[O-] |
| InChIKey | XSECDQPYFOEVPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Nitrocoumarin (CAS 19063-58-2), with molecular formula C9H5NO4 and molecular weight 191.02 g/mol. IUPAC: 7-nitrochromen-2-one.
Chemical Property Profile of 7-Nitrocoumarin
Property Insights of 7-Nitrocoumarin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Nitrocoumarin. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Nitrocoumarin. Following Lipinski's Rule of Five, 7-Nitrocoumarin 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 7-Nitrocoumarin?
The CAS number of 7-Nitrocoumarin is 19063-58-2.
What is the molecular formula of 7-Nitrocoumarin?
The molecular formula of 7-Nitrocoumarin is C9H5NO4.
What is the molecular weight of 7-Nitrocoumarin?
The molecular weight of 7-Nitrocoumarin is 191.02 g/mol.
Where can I buy 7-Nitrocoumarin?
You can request a quote for 7-Nitrocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitrocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitrocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.