Bromonitromethane
TL;DR: Bromonitromethane (CAS 563-70-2) is a chemical compound with molecular formula CH2BrNO2 and molecular weight 138.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bromo(nitro)methane
Also Known As: Bromonitromethane, bromo(nitro)methane, Methane, bromonitro-, Nitrobromomethane, bromo-nitromethane
| Molecular Formula | CH2BrNO2 |
|---|---|
| Molecular Weight | 138.93 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.9269 |
| Heavy Atoms | 5 |
| Complexity | 39.0 |
| Density | 2.007 @25 °C |
Chemical Identifiers
| CAS Number | 563-70-2 |
|---|---|
| SMILES | C([N+](=O)[O-])Br |
| InChIKey | DNPRVXJGNANVCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromonitromethane (CAS 563-70-2), with molecular formula CH2BrNO2 and molecular weight 138.93 g/mol. IUPAC: bromo(nitro)methane.
Chemical Property Profile of Bromonitromethane
Property Insights of Bromonitromethane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromonitromethane. With a topological polar surface area (TPSA) of 45.8 Ų, Bromonitromethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromonitromethane 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 Bromonitromethane?
The CAS number of Bromonitromethane is 563-70-2.
What is the molecular formula of Bromonitromethane?
The molecular formula of Bromonitromethane is CH2BrNO2.
What is the molecular weight of Bromonitromethane?
The molecular weight of Bromonitromethane is 138.93 g/mol.
Where can I buy Bromonitromethane?
You can request a quote for Bromonitromethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromonitromethane?
Yes, KEHONG BIO provides custom synthesis services for Bromonitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.