Melampyroside
TL;DR: Melampyroside (CAS 55785-60-9) is a chemical compound with molecular formula C22H26O10 and molecular weight 450.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aR,7aS)-1-[(2S,3R,4R,5S,6S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
Also Known As: Melampyroside, Thwaitesixanthone, ((1R,6S)-2-((2S,3R,4R,5S,6S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3-oxabicyclo(4.3.0)nona-4,8-dien-9-yl)methyl benzoate, [(4aR,7aS)-1-[(2S,3R,4R,5S,6S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate
| Molecular Formula | C22H26O10 |
|---|---|
| Molecular Weight | 450.15 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.1526 |
| Heavy Atoms | 32 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 55785-60-9 |
|---|---|
| SMILES | C1C=C([C@@H]2[C@H]1C=COC2O[C@@H]3[C@@H]([C@H]([C@@H]([C@@](O3)(CO)O)O)O)O)COC(=O)C4=CC=CC=C4 |
| InChIKey | NYNUGFOKJKFILZ-HKKMPEBQSA-N |
Product Overview
Melampyroside (CAS 55785-60-9), with molecular formula C22H26O10 and molecular weight 450.15 g/mol. IUPAC: [(4aR,7aS)-1-[(2S,3R,4R,5S,6S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl benzoate.
Chemical Property Profile of Melampyroside
Property Insights of Melampyroside
The XLogP value of -0.4 indicates that Melampyroside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Melampyroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Melampyroside has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Melampyroside?
The CAS number of Melampyroside is 55785-60-9.
What is the molecular formula of Melampyroside?
The molecular formula of Melampyroside is C22H26O10.
What is the molecular weight of Melampyroside?
The molecular weight of Melampyroside is 450.15 g/mol.
Where can I buy Melampyroside?
You can request a quote for Melampyroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Melampyroside?
Yes, KEHONG BIO provides custom synthesis services for Melampyroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.