Phillyrin
TL;DR: Phillyrin (CAS 487-41-2) is a chemical compound with molecular formula C27H34O11 and molecular weight 534.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Forsythin, Phillyrin, phyllyrin, Phillyroside, Pillyrin
| Molecular Formula | C27H34O11 |
|---|---|
| Molecular Weight | 534.21 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.2101 |
| Heavy Atoms | 38 |
| Complexity | 757.0 |
Chemical Identifiers
| CAS Number | 487-41-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC)OC |
| InChIKey | KFFCKOBAHMGTMW-LGQRSHAYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phillyrin (CAS 487-41-2), with molecular formula C27H34O11 and molecular weight 534.21 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Phillyrin
Property Insights of Phillyrin
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phillyrin. The TPSA of 146.0 Ų indicates high polarity, suggesting Phillyrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phillyrin has 4 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 Phillyrin?
The CAS number of Phillyrin is 487-41-2.
What is the molecular formula of Phillyrin?
The molecular formula of Phillyrin is C27H34O11.
What is the molecular weight of Phillyrin?
The molecular weight of Phillyrin is 534.21 g/mol.
Where can I buy Phillyrin?
You can request a quote for Phillyrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phillyrin?
Yes, KEHONG BIO provides custom synthesis services for Phillyrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.