8-O-Acetylharpagide
TL;DR: 8-O-Acetylharpagide (CAS 80730-81-0) is a chemical compound with molecular formula C17H26O11 and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aS,7S,7aS)-7-methyl-1-[(2S,3R,4R,6R)-3,4,5,5,6-pentahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate
Also Known As: 8-O-Acetylharpagide, 8-Acetylharpagide, 8-O-acetylharpagid, KST-1A8343, KST-1A8344
| Molecular Formula | C17H26O11 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.14752 |
| Heavy Atoms | 28 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 80730-81-0 |
|---|---|
| SMILES | CC(=O)O[C@]1(CC[C@@H]2[C@@H]1C(OC=C2)O[C@@H]3[C@@H]([C@H](C([C@](O3)(CO)O)(O)O)O)O)C |
| InChIKey | NJJKLOCFAWWZNT-WFGRRWOCSA-N |
Product Overview
8-O-Acetylharpagide (CAS 80730-81-0), with molecular formula C17H26O11 and molecular weight 406.15 g/mol. IUPAC: [(4aS,7S,7aS)-7-methyl-1-[(2S,3R,4R,6R)-3,4,5,5,6-pentahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate.
Chemical Property Profile of 8-O-Acetylharpagide
Property Insights of 8-O-Acetylharpagide
The XLogP value of -2.2 indicates that 8-O-Acetylharpagide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 8-O-Acetylharpagide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-O-Acetylharpagide 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 8-O-Acetylharpagide?
The CAS number of 8-O-Acetylharpagide is 80730-81-0.
What is the molecular formula of 8-O-Acetylharpagide?
The molecular formula of 8-O-Acetylharpagide is C17H26O11.
What is the molecular weight of 8-O-Acetylharpagide?
The molecular weight of 8-O-Acetylharpagide is 406.15 g/mol.
Where can I buy 8-O-Acetylharpagide?
You can request a quote for 8-O-Acetylharpagide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-O-Acetylharpagide?
Yes, KEHONG BIO provides custom synthesis services for 8-O-Acetylharpagide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.