Hexoprenaline HCl
TL;DR: Hexoprenaline HCl (CAS 4323-43-7) is a chemical compound with molecular formula C22H34Cl2N2O6 and molecular weight 492.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azaniumyl]hexyl]azanium dichloride
Also Known As: Hexoprenaline HCl, Hexoprenaline dihydrochloride, Ipradol dihydrochloride, Demethoxysudachitin, Hexoprenaline hydrochloride
| Molecular Formula | C22H34Cl2N2O6 |
|---|---|
| Molecular Weight | 492.18 g/mol |
| LogP | -6.03 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 492.17938 |
| Heavy Atoms | 32 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 4323-43-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(C[NH2+]CCCCCC[NH2+]CC(C2=CC(=C(C=C2)O)O)O)O)O)O.[Cl-].[Cl-] |
| InChIKey | LECFJMMCVCBLPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexoprenaline HCl (CAS 4323-43-7), with molecular formula C22H34Cl2N2O6 and molecular weight 492.18 g/mol. IUPAC: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azaniumyl]hexyl]azanium dichloride.
Chemical Property Profile of Hexoprenaline HCl
Property Insights of Hexoprenaline HCl
The XLogP value of -6.03 indicates that Hexoprenaline HCl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Hexoprenaline HCl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexoprenaline HCl has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexoprenaline HCl?
The CAS number of Hexoprenaline HCl is 4323-43-7.
What is the molecular formula of Hexoprenaline HCl?
The molecular formula of Hexoprenaline HCl is C22H34Cl2N2O6.
What is the molecular weight of Hexoprenaline HCl?
The molecular weight of Hexoprenaline HCl is 492.18 g/mol.
Where can I buy Hexoprenaline HCl?
You can request a quote for Hexoprenaline HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexoprenaline HCl?
Yes, KEHONG BIO provides custom synthesis services for Hexoprenaline HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.