![Aconine [M+H]+ structure](/static/products/5092/509-20-6.webp)
Aconine [M+H]+
TL;DR: Aconine [M+H]+ (CAS 509-20-6) is a chemical compound with molecular formula C25H41NO9 and molecular weight 499.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol
Also Known As: Aconine, Aconitysat, Jesaconine, Aconine hydrochloride, Aconine [M+H]+
| Molecular Formula | C25H41NO9 |
|---|---|
| Molecular Weight | 499.28 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.27814 |
| Heavy Atoms | 35 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 509-20-6 |
|---|---|
| SMILES | CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6O)(C(C5O)OC)O)O)OC)OC)O)COC |
| InChIKey | SQMGCPHFHQGPIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aconine [M+H]+ (CAS 509-20-6), with molecular formula C25H41NO9 and molecular weight 499.28 g/mol. IUPAC: 11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol.
Chemical Property Profile of Aconine [M+H]+
Property Insights of Aconine [M+H]+
The XLogP value of -2.5 indicates that Aconine [M+H]+ is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting Aconine [M+H]+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aconine [M+H]+ has 5 hydrogen bond donor(s) and 10 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 Aconine [M+H]+?
The CAS number of Aconine [M+H]+ is 509-20-6.
What is the molecular formula of Aconine [M+H]+?
The molecular formula of Aconine [M+H]+ is C25H41NO9.
What is the molecular weight of Aconine [M+H]+?
The molecular weight of Aconine [M+H]+ is 499.28 g/mol.
Where can I buy Aconine [M+H]+?
You can request a quote for Aconine [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aconine [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Aconine [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.