Isosilandrin
TL;DR: Isosilandrin (CAS 1212311-73-3) is a chemical compound with molecular formula C25H22O9 and molecular weight 466.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C25H22O9 |
|---|---|
| Molecular Weight | 466.13 g/mol |
| LogP | 3.3919 |
| Topological Polar Surface Area | 134.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.12637 |
| Heavy Atoms | 34 |
| Complexity | 1269.4814 |
Chemical Identifiers
| CAS Number | 1212311-73-3 |
|---|---|
| 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 |
Product Overview
Isosilandrin (CAS 1212311-73-3), with molecular formula C25H22O9 and molecular weight 466.13 g/mol. IUPAC: 5,7-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one.
Chemical Property Profile of Isosilandrin
Property Insights of Isosilandrin
The XLogP value of 3.3919 indicates that Isosilandrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.91 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
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 466.13 g/mol.
Where can I buy Isosilandrin?
You can request a quote for Isosilandrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isosilandrin?
Yes, KEHONG BIO provides custom synthesis services for Isosilandrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.