Rocaglaol
TL;DR: Rocaglaol (CAS 136850-46-9) 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.
(1S,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
Also Known As: Rocaglaol, J1.615.730I, (1S)-3beta-Phenyl-3abeta-(4-methoxyphenyl)-6,8-dimethoxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-1beta,8bbeta-diol, (2S,3S,5S,6R)-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene-2,3-diol, 3beta-Phenyl-3abeta-(4-methoxyphenyl)-6,8-dimethoxy-2,3-dihydro-1H-cyclopenta[b]benzofuran-1beta,8bbeta(3aH)-diol
| Molecular Formula | C26H26O6 |
|---|---|
| Molecular Weight | 434.17 g/mol |
| LogP | 3.7363 |
| Topological Polar Surface Area | 77.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.17294 |
| Heavy Atoms | 32 |
| Complexity | 1129.059 |
Chemical Identifiers
| CAS Number | 136850-46-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@]23[C@@H](C[C@@H]([C@]2(C4=C(O3)C=C(C=C4OC)OC)O)O)C5=CC=CC=C5 |
Product Overview
Rocaglaol (CAS 136850-46-9), with molecular formula C26H26O6 and molecular weight 434.17 g/mol. IUPAC: (1S,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol.
Chemical Property Profile of Rocaglaol
Property Insights of Rocaglaol
The XLogP value of 3.7363 indicates that Rocaglaol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Rocaglaol. Following Lipinski's Rule of Five, Rocaglaol 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 Rocaglaol?
The CAS number of Rocaglaol is 136850-46-9.
What is the molecular formula of Rocaglaol?
The molecular formula of Rocaglaol is C26H26O6.
What is the molecular weight of Rocaglaol?
The molecular weight of Rocaglaol is 434.17 g/mol.
Where can I buy Rocaglaol?
You can request a quote for Rocaglaol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rocaglaol?
Yes, KEHONG BIO provides custom synthesis services for Rocaglaol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.