Silymarin
TL;DR: Silymarin (CAS 65666-07-1) 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-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Also Known As: SILYMARIN, Silybin, silibinin, Silybin B, Legalon
| Molecular Formula | C25H22O10 |
|---|---|
| Molecular Weight | 482.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 482.1213 |
| Heavy Atoms | 35 |
| Complexity | 750.0 |
| Melting Point | 167 °C |
Chemical Identifiers
| CAS Number | 65666-07-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
| InChIKey | SEBFKMXJBCUCAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Silymarin (CAS 65666-07-1), with molecular formula C25H22O10 and molecular weight 482.12 g/mol. IUPAC: 3,5,7-trihydroxy-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 Silymarin
Property Insights of Silymarin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Silymarin. The TPSA of 155.0 Ų indicates high polarity, suggesting Silymarin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Silymarin 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 Silymarin?
The CAS number of Silymarin is 65666-07-1.
What is the molecular formula of Silymarin?
The molecular formula of Silymarin is C25H22O10.
What is the molecular weight of Silymarin?
The molecular weight of Silymarin is 482.12 g/mol.
Where can I buy Silymarin?
You can request a quote for Silymarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Silymarin?
Yes, KEHONG BIO provides custom synthesis services for Silymarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.