Nibroxane
TL;DR: Nibroxane (CAS 53983-00-9) is a chemical compound with molecular formula C5H8BrNO4 and molecular weight 224.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-methyl-5-nitro-1,3-dioxane
Also Known As: NIBROXANE, Nibroxano, Nibroxanum, Compound 85287, 5-Bromo-2-methyl-5-nitro-1,3-dioxane
| Molecular Formula | C5H8BrNO4 |
|---|---|
| Molecular Weight | 224.96 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.96367 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 53983-00-9 |
|---|---|
| SMILES | CC1OCC(CO1)([N+](=O)[O-])Br |
| InChIKey | VFBSFSGHILWWIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nibroxane (CAS 53983-00-9), with molecular formula C5H8BrNO4 and molecular weight 224.96 g/mol. IUPAC: 5-bromo-2-methyl-5-nitro-1,3-dioxane.
Chemical Property Profile of Nibroxane
Property Insights of Nibroxane
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nibroxane. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Nibroxane. Following Lipinski's Rule of Five, Nibroxane 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 Nibroxane?
The CAS number of Nibroxane is 53983-00-9.
What is the molecular formula of Nibroxane?
The molecular formula of Nibroxane is C5H8BrNO4.
What is the molecular weight of Nibroxane?
The molecular weight of Nibroxane is 224.96 g/mol.
Where can I buy Nibroxane?
You can request a quote for Nibroxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nibroxane?
Yes, KEHONG BIO provides custom synthesis services for Nibroxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.