TL;DR: delta12-PROSTAGLANDIN J2 (CAS 87893-54-7) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[5-(3-hydroxyoctylidene)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
Also Known As: Dddd-PGD2, delta-12-Prostaglandin J2, Delta12-PGJ2, delta(12)-PGJ2, PGD2
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.21442 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 334.21442 Da |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
| SMILES | CCCCCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)O)O |
| InChIKey | TUXFWOHFPFBNEJ-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that delta12-PROSTAGLANDIN J2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for delta12-PROSTAGLANDIN J2. Following Lipinski's Rule of Five, delta12-PROSTAGLANDIN J2 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of delta12-PROSTAGLANDIN J2 is 87893-54-7.
The molecular formula of delta12-PROSTAGLANDIN J2 is C20H30O4.
The molecular weight of delta12-PROSTAGLANDIN J2 is 334.21442 g/mol.
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