6-Nitroso-1,2-benzopyrone
TL;DR: 6-Nitroso-1,2-benzopyrone (CAS 130506-22-8) is a chemical compound with molecular formula C9H5NO3 and molecular weight 175.02695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-nitrosochromen-2-one
Also Known As: 6-Nitroso-1,2-benzopyrone, 6-Nitrosocoumarin, 6-nitrosochromen-2-one, 6-nitroso-2H-chromen-2-one, NOBP
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H5NO3 |
| Molecular Weight | 175.02695 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.02695 Da |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
| SMILES | C1=CC2=C(C=CC(=O)O2)C=C1N=O |
| InChIKey | HXTDAUGEZTYMGP-UHFFFAOYSA-N |
Chemical Property Profile of 6-Nitroso-1,2-benzopyrone
Property Insights of 6-Nitroso-1,2-benzopyrone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitroso-1,2-benzopyrone. With a topological polar surface area (TPSA) of 55.7 Ų, 6-Nitroso-1,2-benzopyrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Nitroso-1,2-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
What is the CAS number of 6-Nitroso-1,2-benzopyrone?
The CAS number of 6-Nitroso-1,2-benzopyrone is 130506-22-8.
What is the molecular formula of 6-Nitroso-1,2-benzopyrone?
The molecular formula of 6-Nitroso-1,2-benzopyrone is C9H5NO3.
What is the molecular weight of 6-Nitroso-1,2-benzopyrone?
The molecular weight of 6-Nitroso-1,2-benzopyrone is 175.02695 g/mol.
Where can I buy 6-Nitroso-1,2-benzopyrone?
You can request a quote for 6-Nitroso-1,2-benzopyrone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Nitroso-1,2-benzopyrone?
Yes, CoreyChem provides custom synthesis services for 6-Nitroso-1,2-benzopyrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.