Isosilandrin
TL;DR: Isosilandrin (CAS 1212311-73-3) is a chemical compound with molecular formula C25H22O9 and molecular weight 466.12637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,7-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Also Known As: Isosilandrin, 3-Deoxysilybin, BAS 00225272, J3.394.938C, 5,7-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Technical Specifications
| Molecular Formula | C25H22O9 |
| Molecular Weight | 466.12637 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.12637 Da |
| Heavy Atoms | 34 |
| Complexity | 718.0 |
| SMILES | COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O |
| InChIKey | GCUMQFLUDKFIJH-UHFFFAOYSA-N |
Chemical Property Profile of Isosilandrin
Property Insights of Isosilandrin
The XLogP value of 3.0 indicates that Isosilandrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isosilandrin. Following Lipinski's Rule of Five, Isosilandrin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isosilandrin?
The CAS number of Isosilandrin is 1212311-73-3.
What is the molecular formula of Isosilandrin?
The molecular formula of Isosilandrin is C25H22O9.
What is the molecular weight of Isosilandrin?
The molecular weight of Isosilandrin is 466.12637 g/mol.
Where can I buy Isosilandrin?
You can request a quote for Isosilandrin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isosilandrin?
Yes, CoreyChem provides custom synthesis services for Isosilandrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.