Ajugacumbin B
TL;DR: Ajugacumbin B (CAS 124961-67-7) is a chemical compound with molecular formula C25H36O6 and molecular weight 432.2512 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(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 (E)-2-methylbut-2-enoate
Also Known As: Ajugamarin L2, Ajugacumbin B, [(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 (E)-2-methylbut-2-enoate, ((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 (E)-2-methylbut-2-enoate
Technical Specifications
| Molecular Formula | C25H36O6 |
| Molecular Weight | 432.2512 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.2512 Da |
| Heavy Atoms | 31 |
| Complexity | 815.0 |
| SMILES | C/C=C(\C)/C(=O)OC[C@@]12[C@H](CCCC13CO3)[C@@]([C@@H](C[C@@H]2O)C)(C)CCC4=CC(=O)OC4 |
| InChIKey | OPIBUIPAAPHGEN-ZRBKXSIYSA-N |
Chemical Property Profile of Ajugacumbin B
Property Insights of Ajugacumbin B
The XLogP value of 3.5 indicates that Ajugacumbin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajugacumbin B. Following Lipinski's Rule of Five, Ajugacumbin B 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
What is the CAS number of Ajugacumbin B?
The CAS number of Ajugacumbin B is 124961-67-7.
What is the molecular formula of Ajugacumbin B?
The molecular formula of Ajugacumbin B is C25H36O6.
What is the molecular weight of Ajugacumbin B?
The molecular weight of Ajugacumbin B is 432.2512 g/mol.
Where can I buy Ajugacumbin B?
You can request a quote for Ajugacumbin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ajugacumbin B?
Yes, CoreyChem provides custom synthesis services for Ajugacumbin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.