TL;DR: 19,20-Dehydroprostaglandin E2 (CAS 111219-93-3) 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.
7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyocta-1,7-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
Also Known As: 19,20-Dehydroprostaglandin E2, (5Z,11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13,19-trien-1-oic acid, 11,15-Dihydroxy-9-oxoprosta-5,13,19-trien-1-oic acid (5Z,11alpha,13E,15S)-, Prosta-5,13,19-trien-1-oicacid, 11,15-dihydroxy-9-oxo-, (5Z,11a,13E,15S)- (9CI), 7-[(1R,2R,3R)-3-Hydroxy-2-[(3S)-3-hydroxyocta-1,7-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
| Molecular Formula | C20H30O5 |
| Molecular Weight | 350.20932 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 350.20932 Da |
| Heavy Atoms | 25 |
| Complexity | 494.0 |
| SMILES | C=CCCC[C@@H](C=C[C@H]1[C@@H](CC(=O)[C@@H]1CC=CCCCC(=O)O)O)O |
| InChIKey | DIRVEFSXGQYPLZ-DODZYUBVSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 19,20-Dehydroprostaglandin E2. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 19,20-Dehydroprostaglandin E2. Following Lipinski's Rule of Five, 19,20-Dehydroprostaglandin E2 has 3 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 19,20-Dehydroprostaglandin E2 is 111219-93-3.
The molecular formula of 19,20-Dehydroprostaglandin E2 is C20H30O5.
The molecular weight of 19,20-Dehydroprostaglandin E2 is 350.20932 g/mol.
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