Emarginatine G
TL;DR: Emarginatine G (CAS 155944-13-1) is a chemical compound with molecular formula C45H52N2O19 and molecular weight 924.3164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[21,22,24-triacetyloxy-20-(acetyloxymethyl)-19-[(E)-but-2-enoyl]oxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate
Also Known As: Emarginatine G, [21,22,24-Triacetyloxy-20-(acetyloxymethyl)-19-[(E)-but-2-enoyl]oxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate, Evonine, 8-(acetyloxy)-O1,O2-dideacetyl-8-deoxo-O2-((1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl)-O1-(1-oxo-2-butenyl)-, (8alpha)-
Technical Specifications
| Molecular Formula | C45H52N2O19 |
| Molecular Weight | 924.3164 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 273.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Exact Mass | 924.3164 Da |
| Heavy Atoms | 66 |
| Complexity | 2140.0 |
| SMILES | C/C=C/C(=O)OC1C(C2C(C34C1(C(C(C(C3OC(=O)C)C(O4)(COC(=O)C5=C(C(C(C(=O)O2)C)C)N=CC=C5)C)OC(=O)C)OC(=O)C)COC(=O)C)(C)O)OC(=O)C6=CN(C(=O)C=C6)C |
| InChIKey | RYWZQIMXAGJSGP-ACCUITESSA-N |
Chemical Property Profile of Emarginatine G
Property Insights of Emarginatine G
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emarginatine G. The TPSA of 273.0 Ų indicates high polarity, suggesting Emarginatine G may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Emarginatine G has 1 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Emarginatine G?
The CAS number of Emarginatine G is 155944-13-1.
What is the molecular formula of Emarginatine G?
The molecular formula of Emarginatine G is C45H52N2O19.
What is the molecular weight of Emarginatine G?
The molecular weight of Emarginatine G is 924.3164 g/mol.
Where can I buy Emarginatine G?
You can request a quote for Emarginatine G directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Emarginatine G?
Yes, CoreyChem provides custom synthesis services for Emarginatine G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.