Bromodinitromethane
TL;DR: Bromodinitromethane (CAS 996-67-8) is a chemical compound with molecular formula CHBrN2O4 and molecular weight 183.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bromo(dinitro)methane
Also Known As: Bromodinitromethane, METHANE, BROMODINITRO-, bromo(dinitro)methane, Bromodi(nitro)methane, CHBrN2O4
| Molecular Formula | CHBrN2O4 |
|---|---|
| Molecular Weight | 183.91 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.91197 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 996-67-8 |
|---|---|
| SMILES | C([N+](=O)[O-])([N+](=O)[O-])Br |
| InChIKey | GJPMCGKOSHNWNL-UHFFFAOYSA-N |
Product Overview
Bromodinitromethane (CAS 996-67-8), with molecular formula CHBrN2O4 and molecular weight 183.91 g/mol. IUPAC: bromo(dinitro)methane.
Chemical Property Profile of Bromodinitromethane
Property Insights of Bromodinitromethane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromodinitromethane. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromodinitromethane. Following Lipinski's Rule of Five, Bromodinitromethane 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 Bromodinitromethane?
The CAS number of Bromodinitromethane is 996-67-8.
What is the molecular formula of Bromodinitromethane?
The molecular formula of Bromodinitromethane is CHBrN2O4.
What is the molecular weight of Bromodinitromethane?
The molecular weight of Bromodinitromethane is 183.91 g/mol.
Where can I buy Bromodinitromethane?
You can request a quote for Bromodinitromethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromodinitromethane?
Yes, KEHONG BIO provides custom synthesis services for Bromodinitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.