Harpagoside
TL;DR: Harpagoside (CAS 133645-36-0) is a chemical compound with molecular formula C24H30O11 and molecular weight 494.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] 3-phenylprop-2-enoate
Also Known As: Harpagoside, 8-cis-Cinnamoylharpagide
| Molecular Formula | C24H30O11 |
|---|---|
| Molecular Weight | 494.18 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.1788 |
| Heavy Atoms | 35 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 133645-36-0 |
|---|---|
| SMILES | C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4 |
| InChIKey | KVRQGMOSZKPBNS-WEXCICBUSA-N |
Product Overview
Harpagoside (CAS 133645-36-0), with molecular formula C24H30O11 and molecular weight 494.18 g/mol. IUPAC: [(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] 3-phenylprop-2-enoate.
Chemical Property Profile of Harpagoside
Property Insights of Harpagoside
The XLogP value of -0.6 indicates that Harpagoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting Harpagoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Harpagoside has 6 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 Harpagoside?
The CAS number of Harpagoside is 133645-36-0.
What is the molecular formula of Harpagoside?
The molecular formula of Harpagoside is C24H30O11.
What is the molecular weight of Harpagoside?
The molecular weight of Harpagoside is 494.18 g/mol.
Where can I buy Harpagoside?
You can request a quote for Harpagoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Harpagoside?
Yes, KEHONG BIO provides custom synthesis services for Harpagoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.