Ajugol
TL;DR: Ajugol (CAS 52949-83-4) is a chemical compound with molecular formula C15H24O9 and molecular weight 348.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Ajugol, Leonuride, Myoporoside, Ajugol; Leonuride, Ajugol (Standard)
| Molecular Formula | C15H24O9 |
|---|---|
| Molecular Weight | 348.14 g/mol |
| LogP | -2.5791 |
| Topological Polar Surface Area | 149.07 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.14203 |
| Heavy Atoms | 24 |
| Complexity | 479.5652 |
Chemical Identifiers
| CAS Number | 52949-83-4 |
|---|---|
| SMILES | C[C@@]1(C[C@H]([C@H]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 |
Product Overview
Ajugol (CAS 52949-83-4), with molecular formula C15H24O9 and molecular weight 348.14 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5R,7S,7aS)-5,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Ajugol
Property Insights of Ajugol
The XLogP value of -2.5791 indicates that Ajugol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.07 Ų indicates high polarity, suggesting Ajugol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ajugol has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ajugol?
The CAS number of Ajugol is 52949-83-4.
What is the molecular formula of Ajugol?
The molecular formula of Ajugol is C15H24O9.
What is the molecular weight of Ajugol?
The molecular weight of Ajugol is 348.14 g/mol.
Where can I buy Ajugol?
You can request a quote for Ajugol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajugol?
Yes, KEHONG BIO provides custom synthesis services for Ajugol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.