Dibromonitromethane
TL;DR: Dibromonitromethane (CAS 598-91-4) is a chemical compound with molecular formula CHBr2NO2 and molecular weight 216.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibromo(nitro)methane
Also Known As: Dibromonitromethane, dibromo(nitro)methane, Nitrodibromomethane, Methane, dibromonitro-, Dibromo-nitromethane
| Molecular Formula | CHBr2NO2 |
|---|---|
| Molecular Weight | 216.84 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.83534 |
| Heavy Atoms | 6 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 598-91-4 |
|---|---|
| SMILES | C([N+](=O)[O-])(Br)Br |
| InChIKey | GQEVYCCMYUNRHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibromonitromethane (CAS 598-91-4), with molecular formula CHBr2NO2 and molecular weight 216.84 g/mol. IUPAC: dibromo(nitro)methane.
Chemical Property Profile of Dibromonitromethane
Property Insights of Dibromonitromethane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibromonitromethane. With a topological polar surface area (TPSA) of 45.8 Ų, Dibromonitromethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibromonitromethane has 0 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 Dibromonitromethane?
The CAS number of Dibromonitromethane is 598-91-4.
What is the molecular formula of Dibromonitromethane?
The molecular formula of Dibromonitromethane is CHBr2NO2.
What is the molecular weight of Dibromonitromethane?
The molecular weight of Dibromonitromethane is 216.84 g/mol.
Where can I buy Dibromonitromethane?
You can request a quote for Dibromonitromethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibromonitromethane?
Yes, KEHONG BIO provides custom synthesis services for Dibromonitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.