烟酰胺N-氧化物
TL;DR: 烟酰胺N-氧化物 (CAS 1986-81-8) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酰胺N-氧化物
1-oxidopyridin-1-ium-3-carboxamide
Also Known As: Nicotinamide N-oxide, nicotinamide-n-oxide, nicotinamide 1-oxide, 3-Pyridinecarboxamide, 1-oxide, Oxynicotinamide
| Molecular Formula | C6H6N2O2 |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.04292 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
| Melting Point | 289 - 293 °C |
Chemical Identifiers
| CAS Number | 1986-81-8 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[O-])C(=O)N |
| InChIKey | USSFUVKEHXDAPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
烟酰胺N-氧化物 (CAS 1986-81-8), with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol. IUPAC: 1-oxidopyridin-1-ium-3-carboxamide.
Chemical Property Profile of 烟酰胺N-氧化物
Property Insights of 烟酰胺N-氧化物
The XLogP value of -1.3 indicates that 烟酰胺N-氧化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 烟酰胺N-氧化物. Following Lipinski's Rule of Five, 烟酰胺N-氧化物 has 1 hydrogen bond donor(s) and 2 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 烟酰胺N-氧化物?
The CAS number of 烟酰胺N-氧化物 is 1986-81-8.
What is the molecular formula of 烟酰胺N-氧化物?
The molecular formula of 烟酰胺N-氧化物 is C6H6N2O2.
What is the molecular weight of 烟酰胺N-氧化物?
The molecular weight of 烟酰胺N-氧化物 is 138.04 g/mol.
Where can I buy 烟酰胺N-氧化物?
You can request a quote for 烟酰胺N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟酰胺N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 烟酰胺N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.