百草枯
TL;DR: 百草枯 (CAS 1910-42-5) is a chemical compound with molecular formula C12H14Cl2N2 and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
百草枯
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride
Also Known As: Paraquat dichloride, Methyl viologen, PARAQUAT, Pathclear, Pillarxone
| Molecular Formula | C12H14Cl2N2 |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | -4.99 |
| Topological Polar Surface Area | 7.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0534 |
| Heavy Atoms | 16 |
| Complexity | 145.0 |
| Melting Point | Decomposes 300.0 °C |
| Boiling Point | Decomposes |
| Density | 1.24 to 1.26 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992) |
| Vapor Pressure | Approximately 0 |
Chemical Identifiers
| CAS Number | 1910-42-5 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-] |
| InChIKey | FIKAKWIAUPDISJ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
百草枯 (CAS 1910-42-5), with molecular formula C12H14Cl2N2 and molecular weight 256.05 g/mol. IUPAC: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride.
Chemical Property Profile of 百草枯
Property Insights of 百草枯
The XLogP value of -4.99 indicates that 百草枯 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, 百草枯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 百草枯 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 百草枯?
The CAS number of 百草枯 is 1910-42-5.
What is the molecular formula of 百草枯?
The molecular formula of 百草枯 is C12H14Cl2N2.
What is the molecular weight of 百草枯?
The molecular weight of 百草枯 is 256.05 g/mol.
Where can I buy 百草枯?
You can request a quote for 百草枯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 百草枯?
Yes, KEHONG BIO provides custom synthesis services for 百草枯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.