Ajugacumbin F
TL;DR: Ajugacumbin F (CAS 132922-44-2) is a chemical compound with molecular formula C25H38O7 and molecular weight 450.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aR,5S,7R,8S,8aR)-4,5-dihydroxy-4-(hydroxymethyl)-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl (E)-2-methylbut-2-enoate
Also Known As: Ajugacumbin F, [(4R,4aR,5S,7R,8S,8aR)-4,5-dihydroxy-4-(hydroxymethyl)-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl (E)-2-methylbut-2-enoate, [(1S,2R,4S,4aR,5R,8aR)-4,5-dihydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]octahydronaphthalen-4a(2H)-yl]methyl (2E)-2-methylbut-2-enoate, ((1S,2R,4S,4aR,5R,8aR)-4,5-dihydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)octahydronaphthalen-4a(2H)-yl)methyl (2E)-2-methylbut-2-enoate, ((4R,4aR,5S,7R,8S,8aR)-4,5-dihydroxy-4-(hydroxymethyl)-7,8-dimethyl-8-(2-(5-oxo-2H-furan-3-yl)ethyl)-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl)methyl (E)-2-methylbut-2-enoate
| Molecular Formula | C25H38O7 |
|---|---|
| Molecular Weight | 450.26 g/mol |
| LogP | 2.6761 |
| Topological Polar Surface Area | 113.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.26175 |
| Heavy Atoms | 32 |
| Complexity | 802.1121 |
Chemical Identifiers
| CAS Number | 132922-44-2 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OC[C@@]12[C@H](CCC[C@@]1(CO)O)[C@@]([C@@H](C[C@@H]2O)C)(C)CCC3=CC(=O)OC3 |
Product Overview
Ajugacumbin F (CAS 132922-44-2), with molecular formula C25H38O7 and molecular weight 450.26 g/mol. IUPAC: [(4R,4aR,5S,7R,8S,8aR)-4,5-dihydroxy-4-(hydroxymethyl)-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-4a-yl]methyl (E)-2-methylbut-2-enoate.
Chemical Property Profile of Ajugacumbin F
Property Insights of Ajugacumbin F
The XLogP value of 2.6761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajugacumbin F. The TPSA of 113.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajugacumbin F. Following Lipinski's Rule of Five, Ajugacumbin F has 3 hydrogen bond donor(s) and 7 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 Ajugacumbin F?
The CAS number of Ajugacumbin F is 132922-44-2.
What is the molecular formula of Ajugacumbin F?
The molecular formula of Ajugacumbin F is C25H38O7.
What is the molecular weight of Ajugacumbin F?
The molecular weight of Ajugacumbin F is 450.26 g/mol.
Where can I buy Ajugacumbin F?
You can request a quote for Ajugacumbin F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajugacumbin F?
Yes, KEHONG BIO provides custom synthesis services for Ajugacumbin F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.