敌草快
TL;DR: 敌草快 (CAS 85-00-7) is a chemical compound with molecular formula C12H12Br2N2 and molecular weight 341.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
敌草快
7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene dibromide
Also Known As: DIQUAT DIBROMIDE, Aquacide, Reglon, Reglox, Preeglone
| Molecular Formula | C12H12Br2N2 |
|---|---|
| Molecular Weight | 341.94 g/mol |
| LogP | -5.05 |
| Topological Polar Surface Area | 7.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 343.93466 |
| Heavy Atoms | 16 |
| Complexity | 182.0 |
| Melting Point | 337 °C |
| Boiling Point | Decomposes |
| Density | 1.22 to 1.27 @ 20 °C/20 °C |
| Solubility | Slightly soluble in alcohols, hydroxylic solvents. Practically insoluble in nonpolar organic solvents. |
| Vapor Pressure | 0.00000181 [mmHg] |
Chemical Identifiers
| CAS Number | 85-00-7 |
|---|---|
| SMILES | C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-] |
| InChIKey | ODPOAESBSUKMHD-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
敌草快 (CAS 85-00-7), with molecular formula C12H12Br2N2 and molecular weight 341.94 g/mol. IUPAC: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene dibromide.
Chemical Property Profile of 敌草快
Property Insights of 敌草快
The XLogP value of -5.05 indicates that 敌草快 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 7.8 Ų, 敌草快 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 敌草快 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 敌草快?
The CAS number of 敌草快 is 85-00-7.
What is the molecular formula of 敌草快?
The molecular formula of 敌草快 is C12H12Br2N2.
What is the molecular weight of 敌草快?
The molecular weight of 敌草快 is 341.94 g/mol.
Where can I buy 敌草快?
You can request a quote for 敌草快 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 敌草快?
Yes, KEHONG BIO provides custom synthesis services for 敌草快 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.