Ipecoside
TL;DR: Ipecoside (CAS 15401-60-2) is a chemical compound with molecular formula C27H35NO12 and molecular weight 565.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Also Known As: Ipecoside, MEGxp0_001513, ACon0_000909, ACon1_000420, HY-N2261
| Molecular Formula | C27H35NO12 |
|---|---|
| Molecular Weight | 565.22 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 565.21594 |
| Heavy Atoms | 40 |
| Complexity | 960.0 |
Chemical Identifiers
| CAS Number | 15401-60-2 |
|---|---|
| SMILES | CC(=O)N1CCC2=CC(=C(C=C2[C@H]1C[C@H]3[C@H]([C@@H](OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C)O)O |
| InChIKey | QISXROCIXKXUPS-OWVLCBNUSA-N |
Product Overview
Ipecoside (CAS 15401-60-2), with molecular formula C27H35NO12 and molecular weight 565.22 g/mol. IUPAC: methyl (2S,3R,4S)-4-[[(1R)-2-acetyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate.
Chemical Property Profile of Ipecoside
Property Insights of Ipecoside
The XLogP value of -0.3 indicates that Ipecoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.0 Ų indicates high polarity, suggesting Ipecoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ipecoside 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 Ipecoside?
The CAS number of Ipecoside is 15401-60-2.
What is the molecular formula of Ipecoside?
The molecular formula of Ipecoside is C27H35NO12.
What is the molecular weight of Ipecoside?
The molecular weight of Ipecoside is 565.22 g/mol.
Where can I buy Ipecoside?
You can request a quote for Ipecoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ipecoside?
Yes, KEHONG BIO provides custom synthesis services for Ipecoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.