TL;DR: Seratrodast (CAS 112665-43-7) is a chemical compound with molecular formula C22H26O4 and molecular weight 354.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
Also Known As: SERATRODAST, Bronica, Abbott 73001, seratodrast, seratrodastum
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H26O4 |
| Molecular Weight | 354.1831 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.1831 Da |
| Heavy Atoms | 26 |
| Complexity | 633.0 |
| SMILES | CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C |
| InChIKey | ZBVKEHDGYSLCCC-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Seratrodast is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Seratrodast. Following Lipinski's Rule of Five, Seratrodast has 1 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 Seratrodast is 112665-43-7.
The molecular formula of Seratrodast is C22H26O4.
The molecular weight of Seratrodast is 354.1831 g/mol.
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