Lycaconitine, methyl-
TL;DR: Lycaconitine, methyl- (CAS 21019-30-7) is a chemical compound with molecular formula C37H50N2O10 and molecular weight 682.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,6S,8R,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-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: Delsemidine, Delartine, Methyllycaconitine, Lycaconitine, methyl-, 4-21-00-04589 (Beilstein Handbook Reference)
| Molecular Formula | C37H50N2O10 |
|---|---|
| Molecular Weight | 682.35 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 682.34656 |
| Heavy Atoms | 49 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 21019-30-7 |
|---|---|
| SMILES | CCN1CC2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H](C6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C |
| InChIKey | XLTANAWLDBYGFU-SAWFIOPFSA-N |
Product Overview
Lycaconitine, methyl- (CAS 21019-30-7), with molecular formula C37H50N2O10 and molecular weight 682.35 g/mol. IUPAC: [(2R,3R,4S,6S,8R,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-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of Lycaconitine, methyl-
Property Insights of Lycaconitine, methyl-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lycaconitine, methyl-. The TPSA of 144.0 Ų indicates high polarity, suggesting Lycaconitine, methyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lycaconitine, methyl- 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, methyl-?
The CAS number of Lycaconitine, methyl- is 21019-30-7.
What is the molecular formula of Lycaconitine, methyl-?
The molecular formula of Lycaconitine, methyl- is C37H50N2O10.
What is the molecular weight of Lycaconitine, methyl-?
The molecular weight of Lycaconitine, methyl- is 682.35 g/mol.
Where can I buy Lycaconitine, methyl-?
You can request a quote for Lycaconitine, methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lycaconitine, methyl-?
Yes, KEHONG BIO provides custom synthesis services for Lycaconitine, methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.