TL;DR: kamebakaurin (CAS 73981-34-7) is a chemical compound with molecular formula C20H30O5 and molecular weight 350.20932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,8,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
Also Known As: kamebakaurin, Kamebakaurine, 2,8,16-Trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one, 1,7,14,20-Tetrahydroxykaur-16-en-15-one (1alpha,7alpha,14R), (1R,2R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
| Molecular Formula | C20H30O5 |
| Molecular Weight | 350.20932 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.20932 Da |
| Heavy Atoms | 25 |
| Complexity | 628.0 |
| SMILES | CC1(CCC(C2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)CO)O)C |
| InChIKey | WHSUEVLJUHPROF-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for kamebakaurin. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for kamebakaurin. Following Lipinski's Rule of Five, kamebakaurin has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of kamebakaurin is 73981-34-7.
The molecular formula of kamebakaurin is C20H30O5.
The molecular weight of kamebakaurin is 350.20932 g/mol.
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