Hexoprenaline Sulfate
TL;DR: Hexoprenaline Sulfate (CAS 30117-45-4) is a chemical compound with molecular formula C22H34N2O10S and molecular weight 518.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid
Also Known As: hexoprenaline sulfate, Gynipral, Bronalin, Etoscol, Delaprem
| Molecular Formula | C22H34N2O10S |
|---|---|
| Molecular Weight | 518.19 g/mol |
| LogP | 1.3628 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 518.1934 |
| Heavy Atoms | 35 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 30117-45-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(CNCCCCCCNCC(C2=CC(=C(C=C2)O)O)O)O)O)O.OS(=O)(=O)O |
| InChIKey | GTDCHGNGVGRHQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexoprenaline Sulfate (CAS 30117-45-4), with molecular formula C22H34N2O10S and molecular weight 518.19 g/mol. IUPAC: 4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid.
Chemical Property Profile of Hexoprenaline Sulfate
Property Insights of Hexoprenaline Sulfate
The XLogP value of 1.3628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexoprenaline Sulfate. The TPSA of 243.0 Ų indicates high polarity, suggesting Hexoprenaline Sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexoprenaline Sulfate has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexoprenaline Sulfate?
The CAS number of Hexoprenaline Sulfate is 30117-45-4.
What is the molecular formula of Hexoprenaline Sulfate?
The molecular formula of Hexoprenaline Sulfate is C22H34N2O10S.
What is the molecular weight of Hexoprenaline Sulfate?
The molecular weight of Hexoprenaline Sulfate is 518.19 g/mol.
Where can I buy Hexoprenaline Sulfate?
You can request a quote for Hexoprenaline Sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexoprenaline Sulfate?
Yes, KEHONG BIO provides custom synthesis services for Hexoprenaline Sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.