Cyperquat chloride
TL;DR: Cyperquat chloride (CAS 39794-99-5) is a chemical compound with molecular formula C12H12ClN and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-phenylpyridin-1-ium chloride
Also Known As: Cyperquat chloride, Caswell No. 574C, Cyperquat chloride [ISO], MPTPHYDROCHLORIDE, 1-Methyl-4-phenylpyridinium chloride
| Molecular Formula | C12H12ClN |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | -0.82 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.06583 |
| Heavy Atoms | 14 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 39794-99-5 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)C2=CC=CC=C2.[Cl-] |
| InChIKey | LMGBDZJLZIPJPZ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyperquat chloride (CAS 39794-99-5), with molecular formula C12H12ClN and molecular weight 205.07 g/mol. IUPAC: 1-methyl-4-phenylpyridin-1-ium chloride.
Chemical Property Profile of Cyperquat chloride
Property Insights of Cyperquat chloride
The XLogP value of -0.82 indicates that Cyperquat chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 3.9 Ų, Cyperquat chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyperquat chloride has 0 hydrogen bond donor(s) and 1 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 Cyperquat chloride?
The CAS number of Cyperquat chloride is 39794-99-5.
What is the molecular formula of Cyperquat chloride?
The molecular formula of Cyperquat chloride is C12H12ClN.
What is the molecular weight of Cyperquat chloride?
The molecular weight of Cyperquat chloride is 205.07 g/mol.
Where can I buy Cyperquat chloride?
You can request a quote for Cyperquat chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyperquat chloride?
Yes, KEHONG BIO provides custom synthesis services for Cyperquat chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.