Ajugarin II
TL;DR: Ajugarin II (CAS 62640-06-6) is a chemical compound with molecular formula C22H32O6 and molecular weight 392.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aR,5S,7R,8S,8aR)-5-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate
Also Known As: Ajugarin II, ajugarin-ii, AJUGARIN-II [MI], 8-HYDROXY ANALOG OF AJUGARIN I, AO-222/41148783
| Molecular Formula | C22H32O6 |
|---|---|
| Molecular Weight | 392.22 g/mol |
| LogP | 2.7754 |
| Topological Polar Surface Area | 85.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.21988 |
| Heavy Atoms | 28 |
| Complexity | 695.14056 |
Chemical Identifiers
| CAS Number | 62640-06-6 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)CCC[C@]24CO4)COC(=O)C)O |
Product Overview
Ajugarin II (CAS 62640-06-6), with molecular formula C22H32O6 and molecular weight 392.22 g/mol. IUPAC: [(4R,4aR,5S,7R,8S,8aR)-5-hydroxy-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl acetate.
Chemical Property Profile of Ajugarin II
Property Insights of Ajugarin II
The XLogP value of 2.7754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajugarin II. The TPSA of 85.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajugarin II. Following Lipinski's Rule of Five, Ajugarin II has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ajugarin II?
The CAS number of Ajugarin II is 62640-06-6.
What is the molecular formula of Ajugarin II?
The molecular formula of Ajugarin II is C22H32O6.
What is the molecular weight of Ajugarin II?
The molecular weight of Ajugarin II is 392.22 g/mol.
Where can I buy Ajugarin II?
You can request a quote for Ajugarin II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajugarin II?
Yes, KEHONG BIO provides custom synthesis services for Ajugarin II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.