aconitine
TL;DR: aconitine (CAS 302-27-2) is a chemical compound with molecular formula C34H47NO11 and molecular weight 645.31494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Also Known As: aconitine, Aconitinum, Aconitysat, Aconitane, Aconitin
Technical Specifications
| Molecular Formula | C34H47NO11 |
| Molecular Weight | 645.31494 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 645.31494 Da |
| Heavy Atoms | 46 |
| Complexity | 1210.0 |
| SMILES | CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)O)COC |
| InChIKey | XFSBVAOIAHNAPC-UHFFFAOYSA-N |
Product Description
Applications: aconitine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies aconitine (CAS 302-27-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, aconitine (CAS 302-27-2) has the molecular formula C34H47NO11 and a molecular weight of 645.31 g/mol. It is also known as aconitine and Aconitinum.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of aconitine
Property Insights of aconitine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for aconitine. The TPSA of 153.0 Ų indicates high polarity, suggesting aconitine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, aconitine has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of aconitine?
The CAS number of aconitine is 302-27-2.
What is the molecular formula of aconitine?
The molecular formula of aconitine is C34H47NO11.
What is the molecular weight of aconitine?
The molecular weight of aconitine is 645.31494 g/mol.
What are the applications of aconitine?
aconitine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies aconitine (CAS 302-27-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy aconitine?
You can request a quote for aconitine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for aconitine?
Yes, CoreyChem provides custom synthesis services for aconitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.