6-亚硝基-1,2-苯并吡喃酮
TL;DR: 6-亚硝基-1,2-苯并吡喃酮 (CAS 130506-22-8) is a chemical compound with molecular formula C9H5NO3 and molecular weight 175.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-亚硝基-1,2-苯并吡喃酮
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
| Molecular Formula | C9H5NO3 |
|---|---|
| Molecular Weight | 175.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.02695 |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 130506-22-8 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=O)O2)C=C1N=O |
| InChIKey | HXTDAUGEZTYMGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-亚硝基-1,2-苯并吡喃酮 (CAS 130506-22-8), with molecular formula C9H5NO3 and molecular weight 175.03 g/mol. IUPAC: 6-nitrosochromen-2-one.
Chemical Property Profile of 6-亚硝基-1,2-苯并吡喃酮
Property Insights of 6-亚硝基-1,2-苯并吡喃酮
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-亚硝基-1,2-苯并吡喃酮. With a topological polar surface area (TPSA) of 55.7 Ų, 6-亚硝基-1,2-苯并吡喃酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-亚硝基-1,2-苯并吡喃酮 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-亚硝基-1,2-苯并吡喃酮?
The CAS number of 6-亚硝基-1,2-苯并吡喃酮 is 130506-22-8.
What is the molecular formula of 6-亚硝基-1,2-苯并吡喃酮?
The molecular formula of 6-亚硝基-1,2-苯并吡喃酮 is C9H5NO3.
What is the molecular weight of 6-亚硝基-1,2-苯并吡喃酮?
The molecular weight of 6-亚硝基-1,2-苯并吡喃酮 is 175.03 g/mol.
Where can I buy 6-亚硝基-1,2-苯并吡喃酮?
You can request a quote for 6-亚硝基-1,2-苯并吡喃酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-亚硝基-1,2-苯并吡喃酮?
Yes, KEHONG BIO provides custom synthesis services for 6-亚硝基-1,2-苯并吡喃酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.