TL;DR: Arglabin [M+H]+ (CAS 137624-14-7) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,12-dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one
Also Known As: Arglabin, Mesatlantin C, Arglabin=DMA, (+)-arglabin, Arglabin [M+H]+
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.1256 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.1256 Da |
| Heavy Atoms | 18 |
| Complexity | 506.0 |
| SMILES | CC1=CCC23C1C4C(CCC2(O3)C)C(=C)C(=O)O4 |
| InChIKey | UVJYAKBJSGRTHA-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arglabin [M+H]+. With a topological polar surface area (TPSA) of 38.8 Ų, Arglabin [M+H]+ exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Arglabin [M+H]+ has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Arglabin [M+H]+ is 137624-14-7.
The molecular formula of Arglabin [M+H]+ is C15H18O3.
The molecular weight of Arglabin [M+H]+ is 246.1256 g/mol.
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