Paeony root
TL;DR: Paeony root (CAS 23180-57-6) 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.
[6-hydroxy-8-methyl-3-[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: Paeoniflorin, Peoniflorin, Paeony root, Paeonia moutan, s2410
| 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 | 23180-57-6 |
|---|---|
| SMILES | CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O |
| InChIKey | YKRGDOXKVOZESV-UHFFFAOYSA-N |
Product Overview
Paeony root (CAS 23180-57-6), with molecular formula C23H28O11 and molecular weight 480.16 g/mol. IUPAC: [6-hydroxy-8-methyl-3-[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 Paeony root
Property Insights of Paeony root
The XLogP value of -1.0 indicates that Paeony root is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting Paeony root may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Paeony root 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 Paeony root?
The CAS number of Paeony root is 23180-57-6.
What is the molecular formula of Paeony root?
The molecular formula of Paeony root is C23H28O11.
What is the molecular weight of Paeony root?
The molecular weight of Paeony root is 480.16 g/mol.
Where can I buy Paeony root?
You can request a quote for Paeony root directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paeony root?
Yes, KEHONG BIO provides custom synthesis services for Paeony root and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.