Phellamurin
TL;DR: Phellamurin (CAS 52589-11-4) is a chemical compound with molecular formula C26H30O11 and molecular weight 518.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Also Known As: Phellamurin, Fellavine, Epimedoside C, Fellavin; Flacoside, FELLAVIN
| Molecular Formula | C26H30O11 |
|---|---|
| Molecular Weight | 518.18 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.17883 |
| Heavy Atoms | 37 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 52589-11-4 |
|---|---|
| SMILES | CC(=CCC1=C(C=C(C2=C1O[C@@H]([C@H](C2=O)O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C |
| InChIKey | GRDZTDZJQRPNCN-YIANMRPHSA-N |
Product Overview
Phellamurin (CAS 52589-11-4), with molecular formula C26H30O11 and molecular weight 518.18 g/mol. IUPAC: (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of Phellamurin
Property Insights of Phellamurin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phellamurin. The TPSA of 186.0 Ų indicates high polarity, suggesting Phellamurin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phellamurin has 7 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 Phellamurin?
The CAS number of Phellamurin is 52589-11-4.
What is the molecular formula of Phellamurin?
The molecular formula of Phellamurin is C26H30O11.
What is the molecular weight of Phellamurin?
The molecular weight of Phellamurin is 518.18 g/mol.
Where can I buy Phellamurin?
You can request a quote for Phellamurin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phellamurin?
Yes, KEHONG BIO provides custom synthesis services for Phellamurin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.