Sissotrin
TL;DR: Sissotrin (CAS 5928-26-7) is a chemical compound with molecular formula C22H22O10 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Sissotrin, 5-Hydroxyl ononin, Biochanin A glucoside, Sissotrin [MI], Sissostrin
| Molecular Formula | C22H22O10 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 0.3529 |
| Topological Polar Surface Area | 159.05 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.1213 |
| Heavy Atoms | 32 |
| Complexity | 1153.8256 |
Chemical Identifiers
| CAS Number | 5928-26-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
Product Overview
Sissotrin (CAS 5928-26-7), with molecular formula C22H22O10 and molecular weight 446.12 g/mol. IUPAC: 5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Sissotrin
Property Insights of Sissotrin
The XLogP value of 0.3529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sissotrin. The TPSA of 159.05 Ų indicates high polarity, suggesting Sissotrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sissotrin 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 Sissotrin?
The CAS number of Sissotrin is 5928-26-7.
What is the molecular formula of Sissotrin?
The molecular formula of Sissotrin is C22H22O10.
What is the molecular weight of Sissotrin?
The molecular weight of Sissotrin is 446.12 g/mol.
Where can I buy Sissotrin?
You can request a quote for Sissotrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sissotrin?
Yes, KEHONG BIO provides custom synthesis services for Sissotrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.