Lycaconitine
TL;DR: Lycaconitine (CAS 25867-19-0) is a chemical compound with molecular formula C36H48N2O10 and molecular weight 668.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate
Also Known As: Lycaconitine, Lycoctonine N-succinylanthranilic acid ester, [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate, ((1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecan-13-yl)methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate, (2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromenylium-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
| Molecular Formula | C36H48N2O10 |
|---|---|
| Molecular Weight | 668.33 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 668.3309 |
| Heavy Atoms | 48 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 25867-19-0 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CCC8=O |
| InChIKey | KFXVNXQXPRPLQA-CPIHIRBUSA-N |
Product Overview
Lycaconitine (CAS 25867-19-0), with molecular formula C36H48N2O10 and molecular weight 668.33 g/mol. IUPAC: [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate.
Chemical Property Profile of Lycaconitine
Property Insights of Lycaconitine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lycaconitine. The TPSA of 144.0 Ų indicates high polarity, suggesting Lycaconitine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lycaconitine has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lycaconitine?
The CAS number of Lycaconitine is 25867-19-0.
What is the molecular formula of Lycaconitine?
The molecular formula of Lycaconitine is C36H48N2O10.
What is the molecular weight of Lycaconitine?
The molecular weight of Lycaconitine is 668.33 g/mol.
Where can I buy Lycaconitine?
You can request a quote for Lycaconitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lycaconitine?
Yes, KEHONG BIO provides custom synthesis services for Lycaconitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.