TL;DR: Vermixocin B (CAS 133806-59-4) is a chemical compound with molecular formula C23H26O7 and molecular weight 414.16785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate
Also Known As: Vermixocin B, Purpactin A, purpactinA, AS 186b, AS-186b
| Molecular Formula | C23H26O7 |
| Molecular Weight | 414.16785 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.16785 Da |
| Heavy Atoms | 30 |
| Complexity | 606.0 |
| SMILES | CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)C(CC(C)C)OC(=O)C)OC)C(=O)OC2 |
| InChIKey | NUYFKDBCHFKOBT-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that Vermixocin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Vermixocin B. Following Lipinski's Rule of Five, Vermixocin B has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Vermixocin B is 133806-59-4.
The molecular formula of Vermixocin B is C23H26O7.
The molecular weight of Vermixocin B is 414.16785 g/mol.
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