Prunitrin
TL;DR: Prunitrin (CAS 89595-92-6) 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-7-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Also Known As: Prunetrin, prunitrin, Trifoside, Prunitroside, Prunetin-4'-glucoside
| 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 | 89595-92-6 |
|---|---|
| SMILES | COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O |
Product Overview
Prunitrin (CAS 89595-92-6), with molecular formula C22H22O10 and molecular weight 446.12 g/mol. IUPAC: 5-hydroxy-7-methoxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one.
Chemical Property Profile of Prunitrin
Property Insights of Prunitrin
The XLogP value of 0.3529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prunitrin. The TPSA of 159.05 Ų indicates high polarity, suggesting Prunitrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Prunitrin 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 Prunitrin?
The CAS number of Prunitrin is 89595-92-6.
What is the molecular formula of Prunitrin?
The molecular formula of Prunitrin is C22H22O10.
What is the molecular weight of Prunitrin?
The molecular weight of Prunitrin is 446.12 g/mol.
Where can I buy Prunitrin?
You can request a quote for Prunitrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prunitrin?
Yes, KEHONG BIO provides custom synthesis services for Prunitrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.