O(sup 1)-Methyllappaconidine
TL;DR: O(sup 1)-Methyllappaconidine (CAS 5413-24-1) is a chemical compound with molecular formula C23H37NO6 and molecular weight 423.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-ethyl-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,13,18-triol
Also Known As: Lappaconine, O(sup 1)-Methyllappaconidine, 20-ethyl-1,14,16-trimethoxyaconitane-4,6,8-triol, 4-21-00-02850 (Beilstein Handbook Reference), 20-Ethyl-1-alpha,14-alpha,16-beta-trimethoxyaconitane-4,8,9-triol
| Molecular Formula | C23H37NO6 |
|---|---|
| Molecular Weight | 423.26 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.2621 |
| Heavy Atoms | 30 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 5413-24-1 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC)OC)O)O)OC)O |
| InChIKey | PTILZYWJYHNZDS-UHFFFAOYSA-N |
Product Overview
O(sup 1)-Methyllappaconidine (CAS 5413-24-1), with molecular formula C23H37NO6 and molecular weight 423.26 g/mol. IUPAC: 11-ethyl-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,13,18-triol.
Chemical Property Profile of O(sup 1)-Methyllappaconidine
Property Insights of O(sup 1)-Methyllappaconidine
The XLogP value of -0.3 indicates that O(sup 1)-Methyllappaconidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O(sup 1)-Methyllappaconidine. Following Lipinski's Rule of Five, O(sup 1)-Methyllappaconidine has 3 hydrogen bond donor(s) and 7 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 O(sup 1)-Methyllappaconidine?
The CAS number of O(sup 1)-Methyllappaconidine is 5413-24-1.
What is the molecular formula of O(sup 1)-Methyllappaconidine?
The molecular formula of O(sup 1)-Methyllappaconidine is C23H37NO6.
What is the molecular weight of O(sup 1)-Methyllappaconidine?
The molecular weight of O(sup 1)-Methyllappaconidine is 423.26 g/mol.
Where can I buy O(sup 1)-Methyllappaconidine?
You can request a quote for O(sup 1)-Methyllappaconidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O(sup 1)-Methyllappaconidine?
Yes, KEHONG BIO provides custom synthesis services for O(sup 1)-Methyllappaconidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.