Apiopaeonoside
TL;DR: Apiopaeonoside (CAS 100291-86-9) 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-[2-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]ethanone
Also Known As: Apiopaeonoside, Apiopeonoside, 1-[2-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]ethanone, Paeonol-(apio-beta-furanosyl(1-6)glucopyranoside), Ethanone, 1-[2-[(6-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-4-methoxyphenyl]-
| Molecular Formula | C20H28O12 |
|---|---|
| Molecular Weight | 460.16 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.15808 |
| Heavy Atoms | 32 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 100291-86-9 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O |
| InChIKey | IRLNKOAURQPXIQ-UHFFFAOYSA-N |
Product Overview
Apiopaeonoside (CAS 100291-86-9), with molecular formula C20H28O12 and molecular weight 460.16 g/mol. IUPAC: 1-[2-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]ethanone.
Chemical Property Profile of Apiopaeonoside
Property Insights of Apiopaeonoside
The XLogP value of -2.4 indicates that Apiopaeonoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting Apiopaeonoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Apiopaeonoside 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 Apiopaeonoside?
The CAS number of Apiopaeonoside is 100291-86-9.
What is the molecular formula of Apiopaeonoside?
The molecular formula of Apiopaeonoside is C20H28O12.
What is the molecular weight of Apiopaeonoside?
The molecular weight of Apiopaeonoside is 460.16 g/mol.
Where can I buy Apiopaeonoside?
You can request a quote for Apiopaeonoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apiopaeonoside?
Yes, KEHONG BIO provides custom synthesis services for Apiopaeonoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.