TL;DR: 4-(((5-Fluoro-2-hydroxyphenyl)-2-thienylmethylene)amino)butanamide (CAS 131842-86-9) is a chemical compound with molecular formula C15H15FN2O2S and molecular weight 306.08383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(5-fluoro-2-hydroxyphenyl)-thiophen-2-ylmethylidene]amino]butanamide
Also Known As: 4-(((5-Fluoro-2-hydroxyphenyl)-2-thienylmethylene)amino)butanamide, 4-(alpha-(2-Thienyl)-5-fluoro-2-hydroxybenzylidenimino)butyramide, Butanamide, 4-(((5-fluoro-2-hydroxyphenyl)-2-thienylmethylene)amino)-, 4-[[(Z)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-thiophen-2-ylmethyl]amino]butanamide
| Molecular Formula | C15H15FN2O2S |
| Molecular Weight | 306.08383 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.08383 Da |
| Heavy Atoms | 21 |
| Complexity | 392.0 |
| SMILES | C1=CSC(=C1)C(=NCCCC(=O)N)C2=C(C=CC(=C2)F)O |
| InChIKey | WQRNILMDIQTEBK-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((5-Fluoro-2-hydroxyphenyl)-2-thienylmethylene)amino)butanamide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((5-Fluoro-2-hydroxyphenyl)-2-thienylmethylene)amino)butanamide. Following Lipinski's Rule of Five, 4-(((5-Fluoro-2-hydroxyphenyl)-2-thienylmethylene)amino)butanamide has 2 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 4-(((5-Fluoro-2-hydroxyphenyl)-2-thienylmethylene)amino)butanamide is 131842-86-9.
The molecular formula of 4-(((5-Fluoro-2-hydroxyphenyl)-2-thienylmethylene)amino)butanamide is C15H15FN2O2S.
The molecular weight of 4-(((5-Fluoro-2-hydroxyphenyl)-2-thienylmethylene)amino)butanamide is 306.08383 g/mol.
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