Peoniflorin
TL;DR: Peoniflorin (CAS 23757-24-6) is a chemical compound with molecular formula C23H28O11 and molecular weight 480.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,3R,5R,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
Also Known As: Peoniflorin, Paeoniflorin, Paeonia moutan, Paeony root, KST-1A3009
| Molecular Formula | C23H28O11 |
|---|---|
| Molecular Weight | 480.16 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.16315 |
| Heavy Atoms | 34 |
| Complexity | 849.0 |
Chemical Identifiers
| CAS Number | 23757-24-6 |
|---|---|
| SMILES | C[C@@]12C[C@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O |
| InChIKey | YKRGDOXKVOZESV-MRPXEQBUSA-N |
Product Overview
Peoniflorin (CAS 23757-24-6), with molecular formula C23H28O11 and molecular weight 480.16 g/mol. IUPAC: [(1R,2S,3R,5R,6S,8R)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate.
Chemical Property Profile of Peoniflorin
Property Insights of Peoniflorin
The XLogP value of -1.0 indicates that Peoniflorin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting Peoniflorin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Peoniflorin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Peoniflorin?
The CAS number of Peoniflorin is 23757-24-6.
What is the molecular formula of Peoniflorin?
The molecular formula of Peoniflorin is C23H28O11.
What is the molecular weight of Peoniflorin?
The molecular weight of Peoniflorin is 480.16 g/mol.
Where can I buy Peoniflorin?
You can request a quote for Peoniflorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peoniflorin?
Yes, KEHONG BIO provides custom synthesis services for Peoniflorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.