Silibinin dihemisuccinate
TL;DR: Silibinin dihemisuccinate (CAS 34482-56-9) is a chemical compound with molecular formula C33H30O16 and molecular weight 682.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2R,3R)-6-[(2R,3R)-3-(3-carboxypropanoyloxy)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy]-4-oxobutanoic acid
Also Known As: Silybin dihemisuccinate, silibinin a dihemisuccinate, Silibinin dihemisuccinate, SILYBIN A HEMISUCCINATE, 4-[[(2R,3R)-6-[(2R,3R)-3-(3-carboxypropanoyloxy)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy]-4-oxobutanoic acid
| Molecular Formula | C33H30O16 |
|---|---|
| Molecular Weight | 682.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 682.1534 |
| Heavy Atoms | 49 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 34482-56-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)OC(=O)CCC(=O)O)COC(=O)CCC(=O)O)O |
| InChIKey | JXTPWYSSFFOISU-BMSWWXRLSA-N |
Product Overview
Silibinin dihemisuccinate (CAS 34482-56-9), with molecular formula C33H30O16 and molecular weight 682.15 g/mol. IUPAC: 4-[[(2R,3R)-6-[(2R,3R)-3-(3-carboxypropanoyloxy)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methoxy]-4-oxobutanoic acid.
Chemical Property Profile of Silibinin dihemisuccinate
Property Insights of Silibinin dihemisuccinate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Silibinin dihemisuccinate. The TPSA of 242.0 Ų indicates high polarity, suggesting Silibinin dihemisuccinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Silibinin dihemisuccinate has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Silibinin dihemisuccinate?
The CAS number of Silibinin dihemisuccinate is 34482-56-9.
What is the molecular formula of Silibinin dihemisuccinate?
The molecular formula of Silibinin dihemisuccinate is C33H30O16.
What is the molecular weight of Silibinin dihemisuccinate?
The molecular weight of Silibinin dihemisuccinate is 682.15 g/mol.
Where can I buy Silibinin dihemisuccinate?
You can request a quote for Silibinin dihemisuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Silibinin dihemisuccinate?
Yes, KEHONG BIO provides custom synthesis services for Silibinin dihemisuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.