Diquat dibromide monohydrate
TL;DR: Diquat dibromide monohydrate (CAS 6385-62-2) is a chemical compound with molecular formula C12H14Br2N2O and molecular weight 359.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate
Also Known As: Diquat dibromide monohydrate, Reglone, Diquat (dibromide hydrate), Deiquat monohydrate, Diquat dibromide hydrate
| Molecular Formula | C12H14Br2N2O |
|---|---|
| Molecular Weight | 359.95 g/mol |
| LogP | -5.87 |
| Topological Polar Surface Area | 8.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 361.94525 |
| Heavy Atoms | 17 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 6385-62-2 |
|---|---|
| SMILES | C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-] |
| InChIKey | KLJOSQAQZMLLMB-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diquat dibromide monohydrate (CAS 6385-62-2), with molecular formula C12H14Br2N2O and molecular weight 359.95 g/mol. IUPAC: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate.
Chemical Property Profile of Diquat dibromide monohydrate
Property Insights of Diquat dibromide monohydrate
The XLogP value of -5.87 indicates that Diquat dibromide monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 8.8 Ų, Diquat dibromide monohydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diquat dibromide monohydrate has 1 hydrogen bond donor(s) and 3 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 Diquat dibromide monohydrate?
The CAS number of Diquat dibromide monohydrate is 6385-62-2.
What is the molecular formula of Diquat dibromide monohydrate?
The molecular formula of Diquat dibromide monohydrate is C12H14Br2N2O.
What is the molecular weight of Diquat dibromide monohydrate?
The molecular weight of Diquat dibromide monohydrate is 359.95 g/mol.
Where can I buy Diquat dibromide monohydrate?
You can request a quote for Diquat dibromide monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diquat dibromide monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Diquat dibromide monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.