Paeonolide
TL;DR: Paeonolide (CAS 72520-92-4) is a chemical compound with molecular formula C20H28O12 and molecular weight 460.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone
Also Known As: Paeonolide, Apiopaeonoside, Paeonolide (Standard), 1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone, 2-Acetyl-5-methoxyphenyl 6-O-pentopyranosylhexopyranoside
| Molecular Formula | C20H28O12 |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.15808 |
| Heavy Atoms | 32 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 72520-92-4 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O)O)O |
| InChIKey | IDZZECHGWAZTIB-NYBIBFQCSA-N |
Product Overview
Paeonolide (CAS 72520-92-4), with molecular formula C20H28O12 and molecular weight 460.16 g/mol. IUPAC: 1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone.
Chemical Property Profile of Paeonolide
Property Insights of Paeonolide
The XLogP value of -2.7 indicates that Paeonolide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting Paeonolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Paeonolide 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 Paeonolide?
The CAS number of Paeonolide is 72520-92-4.
What is the molecular formula of Paeonolide?
The molecular formula of Paeonolide is C20H28O12.
What is the molecular weight of Paeonolide?
The molecular weight of Paeonolide is 460.16 g/mol.
Where can I buy Paeonolide?
You can request a quote for Paeonolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paeonolide?
Yes, KEHONG BIO provides custom synthesis services for Paeonolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.