Chlorphenoctium Amsonate
TL;DR: Chlorphenoctium Amsonate (CAS 7168-18-5) is a chemical compound with molecular formula C31H41Cl2N3O7S2 and molecular weight 701.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonate;(2,4-dichlorophenoxy)methyl-dimethyl-octylazanium
Also Known As: Chlorphenoctium Amsonate, 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfo, 5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonate; (2,4-dichlorophenoxy)methyl-dimethyl-octylazanium
| Molecular Formula | C31H41Cl2N3O7S2 |
|---|---|
| Molecular Weight | 701.18 g/mol |
| LogP | 6.94 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 701.1763 |
| Heavy Atoms | 45 |
| Complexity | 925.0 |
Chemical Identifiers
| CAS Number | 7168-18-5 |
|---|---|
| SMILES | CCCCCCCC[N+](C)(C)COC1=C(C=C(C=C1)Cl)Cl.C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-] |
| InChIKey | GQCIBLGQUDFKGX-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorphenoctium Amsonate (CAS 7168-18-5), with molecular formula C31H41Cl2N3O7S2 and molecular weight 701.18 g/mol. IUPAC: 5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonate;(2,4-dichlorophenoxy)methyl-dimethyl-octylazanium.
Chemical Property Profile of Chlorphenoctium Amsonate
Property Insights of Chlorphenoctium Amsonate
The XLogP value of 6.94 indicates that Chlorphenoctium Amsonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting Chlorphenoctium Amsonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorphenoctium Amsonate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chlorphenoctium Amsonate?
The CAS number of Chlorphenoctium Amsonate is 7168-18-5.
What is the molecular formula of Chlorphenoctium Amsonate?
The molecular formula of Chlorphenoctium Amsonate is C31H41Cl2N3O7S2.
What is the molecular weight of Chlorphenoctium Amsonate?
The molecular weight of Chlorphenoctium Amsonate is 701.18 g/mol.
Where can I buy Chlorphenoctium Amsonate?
You can request a quote for Chlorphenoctium Amsonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorphenoctium Amsonate?
Yes, KEHONG BIO provides custom synthesis services for Chlorphenoctium Amsonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.