Silibinin A dihemisuccinate disodium
TL;DR: Silibinin A dihemisuccinate disodium (CAS 55254-34-7) is a chemical compound with molecular formula C33H28Na2O16 and molecular weight 726.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[[(2R,3R)-6-[(2R,3R)-3-(3-carboxylatopropanoyloxy)-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-oxobutanoate
Also Known As: SIHS sodium, Silybin sodium hemisuccinate, Silybin disodium hemisuccinate, Silybin sodium dihemisuccinate, Silybin hemisuccinate sodium salt
| Molecular Formula | C33H28Na2O16 |
|---|---|
| Molecular Weight | 726.12 g/mol |
| LogP | -5.4673 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 726.11725 |
| Heavy Atoms | 51 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 55254-34-7 |
|---|---|
| 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.[Na+].[Na+] |
| InChIKey | YIDLJQVKFQDISS-DSGKQNAUSA-L |
Product Overview
Silibinin A dihemisuccinate disodium (CAS 55254-34-7), with molecular formula C33H28Na2O16 and molecular weight 726.12 g/mol. IUPAC: disodium;4-[[(2R,3R)-6-[(2R,3R)-3-(3-carboxylatopropanoyloxy)-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-oxobutanoate.
Chemical Property Profile of Silibinin A dihemisuccinate disodium
Property Insights of Silibinin A dihemisuccinate disodium
The XLogP value of -5.4673 indicates that Silibinin A dihemisuccinate disodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.0 Ų indicates high polarity, suggesting Silibinin A dihemisuccinate disodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Silibinin A dihemisuccinate disodium has 3 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 A dihemisuccinate disodium?
The CAS number of Silibinin A dihemisuccinate disodium is 55254-34-7.
What is the molecular formula of Silibinin A dihemisuccinate disodium?
The molecular formula of Silibinin A dihemisuccinate disodium is C33H28Na2O16.
What is the molecular weight of Silibinin A dihemisuccinate disodium?
The molecular weight of Silibinin A dihemisuccinate disodium is 726.12 g/mol.
Where can I buy Silibinin A dihemisuccinate disodium?
You can request a quote for Silibinin A dihemisuccinate disodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Silibinin A dihemisuccinate disodium?
Yes, KEHONG BIO provides custom synthesis services for Silibinin A dihemisuccinate disodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.