Emarginatine B
TL;DR: Emarginatine B (CAS 150359-02-7) is a chemical compound with molecular formula C48H52N2O19 and molecular weight 960.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[19,22,24-triacetyloxy-20-(acetyloxymethyl)-21-benzoyloxy-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 B, [19,22,24-Triacetyloxy-20-(acetyloxymethyl)-21-benzoyloxy-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, 19,22,24-tris(acetyloxy)-20-[(acetyloxy)methyl]-21-(benzoyloxy)-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-7,9,11-trien-18-yl 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate(non-preferred name), Evonine, 8-(acetyloxy)-O9-benzoyl-O2,O9-dideacetyl-8-deoxo-O2-((1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl)-, (8beta)-
| Molecular Formula | C48H52N2O19 |
|---|---|
| Molecular Weight | 960.32 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 273.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Exact Mass | 960.3164 |
| Heavy Atoms | 69 |
| Complexity | 2190.0 |
Chemical Identifiers
| CAS Number | 150359-02-7 |
|---|---|
| SMILES | CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C)OC(=O)C6=CC=CC=C6)COC(=O)C)OC(=O)C)OC(=O)C7=CN(C(=O)C=C7)C)C |
| InChIKey | OIYGAGDGUHYHMX-UHFFFAOYSA-N |
Product Overview
Emarginatine B (CAS 150359-02-7), with molecular formula C48H52N2O19 and molecular weight 960.32 g/mol. IUPAC: [19,22,24-triacetyloxy-20-(acetyloxymethyl)-21-benzoyloxy-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.
Chemical Property Profile of Emarginatine B
Property Insights of Emarginatine B
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Emarginatine B. The TPSA of 273.0 Ų indicates high polarity, suggesting Emarginatine B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Emarginatine B has 1 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Emarginatine B?
The CAS number of Emarginatine B is 150359-02-7.
What is the molecular formula of Emarginatine B?
The molecular formula of Emarginatine B is C48H52N2O19.
What is the molecular weight of Emarginatine B?
The molecular weight of Emarginatine B is 960.32 g/mol.
Where can I buy Emarginatine B?
You can request a quote for Emarginatine B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emarginatine B?
Yes, KEHONG BIO provides custom synthesis services for Emarginatine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.