Ludaconitine diacetate
TL;DR: Ludaconitine diacetate (CAS 82144-73-8) is a chemical compound with molecular formula C36H49NO11 and molecular weight 671.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,5S,6S,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5-hydroxy-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: Ludaconitine diacetate, 3-Acetylindaconitine, Indaconitine 3-acetate, Indaconitine, 3-acetyl-, Ludaconitine 3,8-diacetate
| Molecular Formula | C36H49NO11 |
|---|---|
| Molecular Weight | 671.33 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 671.33057 |
| Heavy Atoms | 48 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 82144-73-8 |
|---|---|
| SMILES | CCN1CC2([C@H]3C(C4[C@@H]1C3([C@@H]5C[C@@]6([C@H](C[C@]4([C@H]5C6OC(=O)C7=CC=CC=C7)OC(=O)C)OC)O)C(CC2OC(=O)C)OC)OC)COC |
| InChIKey | SETYSPQJJWEOEA-CJBSRKJYSA-N |
Product Overview
Ludaconitine diacetate (CAS 82144-73-8), with molecular formula C36H49NO11 and molecular weight 671.33 g/mol. IUPAC: [(2R,3R,5S,6S,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5-hydroxy-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 Ludaconitine diacetate
Property Insights of Ludaconitine diacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ludaconitine diacetate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ludaconitine diacetate. Following Lipinski's Rule of Five, Ludaconitine diacetate has 1 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 Ludaconitine diacetate?
The CAS number of Ludaconitine diacetate is 82144-73-8.
What is the molecular formula of Ludaconitine diacetate?
The molecular formula of Ludaconitine diacetate is C36H49NO11.
What is the molecular weight of Ludaconitine diacetate?
The molecular weight of Ludaconitine diacetate is 671.33 g/mol.
Where can I buy Ludaconitine diacetate?
You can request a quote for Ludaconitine diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ludaconitine diacetate?
Yes, KEHONG BIO provides custom synthesis services for Ludaconitine diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.