铁锈灵
TL;DR: 铁锈灵 (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.
铁锈灵
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
铁锈灵 (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 铁锈灵
Property Insights of 铁锈灵
The XLogP value of 3.2 indicates that 铁锈灵 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 铁锈灵. Following Lipinski's Rule of Five, 铁锈灵 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 铁锈灵?
The CAS number of 铁锈灵 is 147059-46-9.
What is the molecular formula of 铁锈灵?
The molecular formula of 铁锈灵 is C26H26O6.
What is the molecular weight of 铁锈灵?
The molecular weight of 铁锈灵 is 434.17 g/mol.
Where can I buy 铁锈灵?
You can request a quote for 铁锈灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 铁锈灵?
Yes, KEHONG BIO provides custom synthesis services for 铁锈灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.