Paraquat dichloride mixt. with simazine
TL;DR: Paraquat dichloride mixt. with simazine (CAS 41166-87-4) is a chemical compound with molecular formula C19H26Cl3N7 and molecular weight 457.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride
Also Known As: Paraquat dichloride mixt. with simazine, KST-1B4077, KST-1B4078, Paraquat dichloride mixture with with simazine, 1,1'-dimethyl-4,4'-bipyridinium chloride 6-chloro-n,n'-diethyl-1,3,5-triazine-2,4-diamine(1:2:1)
| Molecular Formula | C19H26Cl3N7 |
|---|---|
| Molecular Weight | 457.13 g/mol |
| LogP | -3.6008 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.13153 |
| Heavy Atoms | 29 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 41166-87-4 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)Cl)NCC.C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-] |
| InChIKey | MGFPHGDRKPDANF-UHFFFAOYSA-L |
Product Overview
Paraquat dichloride mixt. with simazine (CAS 41166-87-4), with molecular formula C19H26Cl3N7 and molecular weight 457.13 g/mol. IUPAC: 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride.
Chemical Property Profile of Paraquat dichloride mixt. with simazine
Property Insights of Paraquat dichloride mixt. with simazine
The XLogP value of -3.6008 indicates that Paraquat dichloride mixt. with simazine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Paraquat dichloride mixt. with simazine. Following Lipinski's Rule of Five, Paraquat dichloride mixt. with simazine has 2 hydrogen bond donor(s) and 7 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 Paraquat dichloride mixt. with simazine?
The CAS number of Paraquat dichloride mixt. with simazine is 41166-87-4.
What is the molecular formula of Paraquat dichloride mixt. with simazine?
The molecular formula of Paraquat dichloride mixt. with simazine is C19H26Cl3N7.
What is the molecular weight of Paraquat dichloride mixt. with simazine?
The molecular weight of Paraquat dichloride mixt. with simazine is 457.13 g/mol.
Where can I buy Paraquat dichloride mixt. with simazine?
You can request a quote for Paraquat dichloride mixt. with simazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paraquat dichloride mixt. with simazine?
Yes, KEHONG BIO provides custom synthesis services for Paraquat dichloride mixt. with simazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.