Isosilybinin
TL;DR: Isosilybinin (CAS 42110-65-6) is a chemical compound with molecular formula C25H22O10 and molecular weight 482.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Also Known As: Isosilybin, SILYMARIN, Isosilybin A, Isosilybin B, Isosilybinin
| Molecular Formula | C25H22O10 |
|---|---|
| Molecular Weight | 482.12 g/mol |
| LogP | 2.3627 |
| Topological Polar Surface Area | 155.14 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 482.1213 |
| Heavy Atoms | 35 |
| Complexity | 1303.6453 |
Chemical Identifiers
| CAS Number | 42110-65-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=CC(=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
Product Overview
Isosilybinin (CAS 42110-65-6), with molecular formula C25H22O10 and molecular weight 482.12 g/mol. IUPAC: 3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one.
Chemical Property Profile of Isosilybinin
Property Insights of Isosilybinin
The XLogP value of 2.3627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isosilybinin. The TPSA of 155.14 Ų indicates high polarity, suggesting Isosilybinin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isosilybinin has 5 hydrogen bond donor(s) and 10 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 Isosilybinin?
The CAS number of Isosilybinin is 42110-65-6.
What is the molecular formula of Isosilybinin?
The molecular formula of Isosilybinin is C25H22O10.
What is the molecular weight of Isosilybinin?
The molecular weight of Isosilybinin is 482.12 g/mol.
Where can I buy Isosilybinin?
You can request a quote for Isosilybinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isosilybinin?
Yes, KEHONG BIO provides custom synthesis services for Isosilybinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.