TL;DR: BAS 07329268 (CAS 1396963-85-1) is a chemical compound with molecular formula C15H16Cl2N2O4S and molecular weight 390.02078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-amino-3-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate
Also Known As: BAS 07329268, ethyl 2-amino-3-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate, ethyl S-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]cysteinate, 2-Amino-3-[1-(3,5-dichloro-phenyl)-2,5-dioxo-pyrrolidin-3-ylsulfanyl]-propionic, ethyl 2-amino-3-((1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)propanoate
| Molecular Formula | C15H16Cl2N2O4S |
| Molecular Weight | 390.02078 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.02078 Da |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
| SMILES | CCOC(=O)C(CSC1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl)N |
| InChIKey | JPLJLTKJJCDXKY-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07329268. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07329268. Following Lipinski's Rule of Five, BAS 07329268 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 07329268 is 1396963-85-1.
The molecular formula of BAS 07329268 is C15H16Cl2N2O4S.
The molecular weight of BAS 07329268 is 390.02078 g/mol.
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