Oxypaeoniflorin
TL;DR: Oxypaeoniflorin (CAS 39011-91-1) is a chemical compound with molecular formula C23H28O12 and molecular weight 496.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,5R,6R,8S)-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 4-hydroxybenzoate
Also Known As: Oxypaeoniflorin, Oxypaeoniflora, KST-1A4687, [(1ar,2s,5r,5ar,5bs)-1a-(, A-d-glucopyranosyloxy)-5-hydroxy-2-methyltetrahydro-1h-2,5-methano-3,4-dioxacyclobuta[cd]pentalen-5b(3ah)-yl]methyl 4-hydroxybenzoate
| Molecular Formula | C23H28O12 |
|---|---|
| Molecular Weight | 496.16 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.15808 |
| Heavy Atoms | 35 |
| Complexity | 879.0 |
Chemical Identifiers
| CAS Number | 39011-91-1 |
|---|---|
| SMILES | C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4(C(O2)O3)COC(=O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O |
| InChIKey | FCHVXNVDFYXLIL-XUKLQFQFSA-N |
Product Overview
Oxypaeoniflorin (CAS 39011-91-1), with molecular formula C23H28O12 and molecular weight 496.16 g/mol. IUPAC: [(2S,3R,5R,6R,8S)-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 4-hydroxybenzoate.
Chemical Property Profile of Oxypaeoniflorin
Property Insights of Oxypaeoniflorin
The XLogP value of -1.4 indicates that Oxypaeoniflorin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting Oxypaeoniflorin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxypaeoniflorin has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oxypaeoniflorin?
The CAS number of Oxypaeoniflorin is 39011-91-1.
What is the molecular formula of Oxypaeoniflorin?
The molecular formula of Oxypaeoniflorin is C23H28O12.
What is the molecular weight of Oxypaeoniflorin?
The molecular weight of Oxypaeoniflorin is 496.16 g/mol.
Where can I buy Oxypaeoniflorin?
You can request a quote for Oxypaeoniflorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxypaeoniflorin?
Yes, KEHONG BIO provides custom synthesis services for Oxypaeoniflorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.