TL;DR: Flufenisal (CAS 22494-27-5) is a chemical compound with molecular formula C15H11FO4 and molecular weight 274.06415 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetyloxy-5-(4-fluorophenyl)benzoic acid
Also Known As: flufenisalum, Flufenisal [USAN:INN], FLUFENISAL [INN], Flufenisal (USAN/INN), FLUFENISAL [USAN]
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H11FO4 |
| Molecular Weight | 274.06415 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.06415 Da |
| Heavy Atoms | 20 |
| Complexity | 363.0 |
| SMILES | CC(=O)OC1=C(C=C(C=C1)C2=CC=C(C=C2)F)C(=O)O |
| InChIKey | XKSAJZSJKURQRX-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Flufenisal. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Flufenisal. Following Lipinski's Rule of Five, Flufenisal 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 Flufenisal is 22494-27-5.
The molecular formula of Flufenisal is C15H11FO4.
The molecular weight of Flufenisal is 274.06415 g/mol.
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