Aconitine, analytical standard
TL;DR: Aconitine, analytical standard (CAS 1217495-65-2) is a chemical compound with molecular formula C34H47NO11 and molecular weight 645.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R,6S,7S,8R,9R,10S,13R,14R,16R,18R)-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, Acetylbenzoylaconine, Aconitine, analytical standard, Aconitine, >=95% (HPLC), crystalline, L914
| Molecular Formula | C34H47NO11 |
|---|---|
| Molecular Weight | 645.31 g/mol |
| LogP | 0.6481 |
| Topological Polar Surface Area | 153.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 645.31494 |
| Heavy Atoms | 46 |
| Complexity | 1363.5594 |
Chemical Identifiers
| CAS Number | 1217495-65-2 |
|---|---|
| SMILES | CCN1C[C@@]2([C@@H](C[C@H](C34[C@@H]1[C@H]([C@@H](C23)OC)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)O)COC |
Product Overview
Aconitine, analytical standard (CAS 1217495-65-2), with molecular formula C34H47NO11 and molecular weight 645.31 g/mol. IUPAC: [(2R,3R,4R,5R,6S,7S,8R,9R,10S,13R,14R,16R,18R)-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.
Chemical Property Profile of Aconitine, analytical standard
Property Insights of Aconitine, analytical standard
The XLogP value of 0.6481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aconitine, analytical standard. The TPSA of 153.45 Ų indicates high polarity, suggesting Aconitine, analytical standard may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aconitine, analytical standard has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aconitine, analytical standard?
The CAS number of Aconitine, analytical standard is 1217495-65-2.
What is the molecular formula of Aconitine, analytical standard?
The molecular formula of Aconitine, analytical standard is C34H47NO11.
What is the molecular weight of Aconitine, analytical standard?
The molecular weight of Aconitine, analytical standard is 645.31 g/mol.
Where can I buy Aconitine, analytical standard?
You can request a quote for Aconitine, analytical standard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aconitine, analytical standard?
Yes, KEHONG BIO provides custom synthesis services for Aconitine, analytical standard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.