Diquat dichloride
TL;DR: Diquat dichloride (CAS 4032-26-2) is a chemical compound with molecular formula C12H12Cl2N2 and molecular weight 254.04 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 dichloride
Also Known As: DIQUAT DICHLORIDE, Diquat hydrochloride, diquat dichlo-ride, Diquat dichloride monohydrate, 1,1'-Ethylene-2,2'-dipyridinium dichloride
| Molecular Formula | C12H12Cl2N2 |
|---|---|
| Molecular Weight | 254.04 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 | 254.03775 |
| Heavy Atoms | 16 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 4032-26-2 |
|---|---|
| SMILES | C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Cl-].[Cl-] |
| InChIKey | SKYNPRKUXHXZFJ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diquat dichloride (CAS 4032-26-2), with molecular formula C12H12Cl2N2 and molecular weight 254.04 g/mol. IUPAC: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene dichloride.
Chemical Property Profile of Diquat dichloride
Property Insights of Diquat dichloride
The XLogP value of -5.05 indicates that Diquat dichloride 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, Diquat dichloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diquat dichloride 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 Diquat dichloride?
The CAS number of Diquat dichloride is 4032-26-2.
What is the molecular formula of Diquat dichloride?
The molecular formula of Diquat dichloride is C12H12Cl2N2.
What is the molecular weight of Diquat dichloride?
The molecular weight of Diquat dichloride is 254.04 g/mol.
Where can I buy Diquat dichloride?
You can request a quote for Diquat dichloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diquat dichloride?
Yes, KEHONG BIO provides custom synthesis services for Diquat dichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.