Paeonin
TL;DR: Paeonin (CAS 13326-56-2) is a chemical compound with molecular formula C28H33ClO16 and molecular weight 660.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
Also Known As: Paeonin, Peonin chloride, peonidin 3,5-diglucoside, Peonidin-3,5-diglucoside, PEONIN CHLORIDE(SH)
| Molecular Formula | C28H33ClO16 |
|---|---|
| Molecular Weight | 660.15 g/mol |
| LogP | -4.8379 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 660.1457 |
| Heavy Atoms | 45 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 13326-56-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O.[Cl-] |
| InChIKey | NLSMPWTZYGSAEU-CYUNEVMDSA-N |
Product Overview
Paeonin (CAS 13326-56-2), with molecular formula C28H33ClO16 and molecular weight 660.15 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride.
Chemical Property Profile of Paeonin
Property Insights of Paeonin
The XLogP value of -4.8379 indicates that Paeonin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 249.0 Ų indicates high polarity, suggesting Paeonin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Paeonin has 10 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 Paeonin?
The CAS number of Paeonin is 13326-56-2.
What is the molecular formula of Paeonin?
The molecular formula of Paeonin is C28H33ClO16.
What is the molecular weight of Paeonin?
The molecular weight of Paeonin is 660.15 g/mol.
Where can I buy Paeonin?
You can request a quote for Paeonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paeonin?
Yes, KEHONG BIO provides custom synthesis services for Paeonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.