2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one
TL;DR: 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one (CAS 2297-94-1) is a chemical compound with molecular formula C7H5NO3 and molecular weight 151.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one
Also Known As: 5-Nitrosotropolone, 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-5-NITROSO-, 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one, 2-hydroxy-5-nitrosocyclohepta-2,4,6-trienone
| Molecular Formula | C7H5NO3 |
|---|---|
| Molecular Weight | 151.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.02695 |
| Heavy Atoms | 11 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 2297-94-1 |
|---|---|
| SMILES | C1=CC(=O)C(=CC=C1N=O)O |
| InChIKey | FYTNKOSUJSUKML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one (CAS 2297-94-1), with molecular formula C7H5NO3 and molecular weight 151.03 g/mol. IUPAC: 2-hydroxy-5-nitrosocyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one
Property Insights of 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one. Following Lipinski's Rule of Five, 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one has 1 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-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one?
The CAS number of 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one is 2297-94-1.
What is the molecular formula of 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one?
The molecular formula of 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one is C7H5NO3.
What is the molecular weight of 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one?
The molecular weight of 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one is 151.03 g/mol.
Where can I buy 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one?
You can request a quote for 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-5-nitroso-2,4,6-cycloheptatrien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.