TL;DR: Patulolide B (CAS 103729-43-7) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3Z,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
Also Known As: Patulolide B, Patulolide A, PatulolideA, (-)-Patulolide B, 4-oxo-2Z-dodecen-11R-olide
| Molecular Formula | C12H18O3 |
| Molecular Weight | 210.1256 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.1256 Da |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
| SMILES | C[C@@H]1CCCCCCC(=O)/C=C\C(=O)O1 |
| InChIKey | XETYGXGLGYXEIT-HSTULFTRSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Patulolide B. With a topological polar surface area (TPSA) of 43.4 Ų, Patulolide B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Patulolide B 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 Patulolide B is 103729-43-7.
The molecular formula of Patulolide B is C12H18O3.
The molecular weight of Patulolide B is 210.1256 g/mol.
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