TL;DR: CHEMBRDG-BB 5404527 (CAS 1055980-74-9) is a chemical compound with molecular formula C12H11NO4S and molecular weight 265.0409 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: CHEMBRDG-BB 5404527, Benzeneethanamine,N-methyl-2-nitro, 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione, (5Z)-5-(3-ETHOXY-4-HYDROXYBENZYLIDENE)-1,3-THIAZOLIDINE-2,4-DIONE, 5-(3-ethoxy-4-hydroxybenzylidene)thiazolidine-2,4-dione
| Molecular Formula | C12H11NO4S |
| Molecular Weight | 265.0409 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.0409 Da |
| Heavy Atoms | 18 |
| Complexity | 382.0 |
| SMILES | CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)S2)O |
| InChIKey | HTFKYUIYCWNLNL-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CHEMBRDG-BB 5404527. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CHEMBRDG-BB 5404527. Following Lipinski's Rule of Five, CHEMBRDG-BB 5404527 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 CHEMBRDG-BB 5404527 is 1055980-74-9.
The molecular formula of CHEMBRDG-BB 5404527 is C12H11NO4S.
The molecular weight of CHEMBRDG-BB 5404527 is 265.0409 g/mol.
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