Ferrugin
TL;DR: Ferrugin (CAS 147059-46-9) is a chemical compound with molecular formula C26H26O6 and molecular weight 434.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
Also Known As: Rocaglaol, Ferrugin, 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-1,2,3,3a-tetrahydro-8bh-benzo[b]cyclopenta[d]furan-1,8b-diol, 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
| Molecular Formula | C26H26O6 |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.17294 |
| Heavy Atoms | 32 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 147059-46-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C23C(CC(C2(C4=C(O3)C=C(C=C4OC)OC)O)O)C5=CC=CC=C5 |
| InChIKey | RRVZOJQBRVGMMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ferrugin (CAS 147059-46-9), with molecular formula C26H26O6 and molecular weight 434.17 g/mol. IUPAC: 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol.
Chemical Property Profile of Ferrugin
Property Insights of Ferrugin
The XLogP value of 3.2 indicates that Ferrugin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ferrugin. Following Lipinski's Rule of Five, Ferrugin has 2 hydrogen bond donor(s) and 6 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 Ferrugin?
The CAS number of Ferrugin is 147059-46-9.
What is the molecular formula of Ferrugin?
The molecular formula of Ferrugin is C26H26O6.
What is the molecular weight of Ferrugin?
The molecular weight of Ferrugin is 434.17 g/mol.
Where can I buy Ferrugin?
You can request a quote for Ferrugin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ferrugin?
Yes, KEHONG BIO provides custom synthesis services for Ferrugin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.