6-Methoxysorinin heptaacetate
TL;DR: 6-Methoxysorinin heptaacetate (CAS 86160-74-9) is a chemical compound with molecular formula C38H42O21 and molecular weight 834.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(9-acetyloxy-6-methoxy-1-oxo-3H-benzo[f][2]benzofuran-8-yl)oxy]oxan-2-yl]methoxy]oxan-3-yl] acetate
Also Known As: 6-Methoxysorinin heptaacetate, Naphtho(2,3-c)furan-1(3H)-one, 9-(acetyloxy)-6-methoxy-8-((2,3,4-tri-O-acetyl-6-O-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-beta-D-glucopyranosyl)oxy)-, [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(9-acetyloxy-6-methoxy-1-oxo-3H-benzo[f][2]benzofuran-8-yl)oxy]oxan-2-yl]methoxy]oxan-3-yl] acetate, 7-methoxy-3-oxo-5-{[2,3,4-tri-O-acetyl-6-O-(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}-1,3-dihydronaphtho[2,3-c]furan-4-yl acetate, 7-Methoxy-3-oxo-5-{[2,3,4-tri-O-acetyl-6-O-(2,3,4-tri-O-acetylpentopyranosyl)hexopyranosyl]oxy}-1,3-dihydronaphtho[2,3-c]furan-4-yl acetate
| Molecular Formula | C38H42O21 |
|---|---|
| Molecular Weight | 834.22 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 257.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 20 |
| Exact Mass | 834.22186 |
| Heavy Atoms | 59 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 86160-74-9 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C4C(=CC(=C3)OC)C=C5COC(=O)C5=C4OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | SFCKWOOAWXSSIK-ASTQJOFLSA-N |
Product Overview
6-Methoxysorinin heptaacetate (CAS 86160-74-9), with molecular formula C38H42O21 and molecular weight 834.22 g/mol. IUPAC: [(3R,4S,5R,6R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(9-acetyloxy-6-methoxy-1-oxo-3H-benzo[f][2]benzofuran-8-yl)oxy]oxan-2-yl]methoxy]oxan-3-yl] acetate.
Chemical Property Profile of 6-Methoxysorinin heptaacetate
Property Insights of 6-Methoxysorinin heptaacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxysorinin heptaacetate. The TPSA of 257.0 Ų indicates high polarity, suggesting 6-Methoxysorinin heptaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Methoxysorinin heptaacetate has 0 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Methoxysorinin heptaacetate?
The CAS number of 6-Methoxysorinin heptaacetate is 86160-74-9.
What is the molecular formula of 6-Methoxysorinin heptaacetate?
The molecular formula of 6-Methoxysorinin heptaacetate is C38H42O21.
What is the molecular weight of 6-Methoxysorinin heptaacetate?
The molecular weight of 6-Methoxysorinin heptaacetate is 834.22 g/mol.
Where can I buy 6-Methoxysorinin heptaacetate?
You can request a quote for 6-Methoxysorinin heptaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxysorinin heptaacetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxysorinin heptaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.