TL;DR: (11S)-17-hydroxy-15-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione (CAS 1212312-26-9) is a chemical compound with molecular formula C19H26O5 and molecular weight 334.178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-16-hydroxy-18-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione
Also Known As: (11S)-17-hydroxy-15-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione, (3S)-14-hydroxy-16-methoxy-3-methyl-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, (S)-14-hydroxy-16-methoxy-3-methyl-3,4,5,6,9,10,11,12-octahydro-1H-benzo[c][1]oxacyclotetradecine-1,7(8H)-dione
| Molecular Formula | C19H26O5 |
| Molecular Weight | 334.178 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.178 Da |
| Heavy Atoms | 24 |
| Complexity | 422.0 |
| SMILES | C[C@H]1CCCC(=O)CCCCCC2=C(C(=CC(=C2)O)OC)C(=O)O1 |
| InChIKey | NPFXDKRGVBMMSL-ZDUSSCGKSA-N |
The XLogP value of 3.7 indicates that (11S)-17-hydroxy-15-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (11S)-17-hydroxy-15-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione. Following Lipinski's Rule of Five, (11S)-17-hydroxy-15-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione has 1 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 (11S)-17-hydroxy-15-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione is 1212312-26-9.
The molecular formula of (11S)-17-hydroxy-15-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione is C19H26O5.
The molecular weight of (11S)-17-hydroxy-15-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-7,13-dione is 334.178 g/mol.
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