TL;DR: BAS 00777760 (CAS 1415603-57-4) is a chemical compound with molecular formula C18H18N2O4S2 and molecular weight 390.0708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: BAS 00777760, (Z)-6-(5-(1-methyl-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, F0206-0264, 6-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid, 6-{5-[1-Methyl-2-oxo-1,2-dihydro-indol-(3Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-hexanoic acid
| Molecular Formula | C18H18N2O4S2 |
| Molecular Weight | 390.0708 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.0708 Da |
| Heavy Atoms | 26 |
| Complexity | 676.0 |
| SMILES | CN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)CCCCCC(=O)O)/C1=O |
| InChIKey | OXPGJYNPCBJVCP-PFONDFGASA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00777760. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00777760. Following Lipinski's Rule of Five, BAS 00777760 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 00777760 is 1415603-57-4.
The molecular formula of BAS 00777760 is C18H18N2O4S2.
The molecular weight of BAS 00777760 is 390.0708 g/mol.
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