TL;DR: AB00157531-02 (CAS 1008921-15-0) is a chemical compound with molecular formula C20H18FN3O2S and molecular weight 383.11038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(3-methylphenyl)acetamide
Also Known As: AB00157531-02, F0561-0095, N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-(m-tolyl)acetamide, N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(3-methylphenyl)acetamide, N-[2-(4-fluorophenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]-2-(3-methylphenyl)acetamide
| Molecular Formula | C20H18FN3O2S |
| Molecular Weight | 383.11038 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.11038 Da |
| Heavy Atoms | 27 |
| Complexity | 569.0 |
| SMILES | CC1=CC(=CC=C1)CC(=O)NC2=C3CS(=O)CC3=NN2C4=CC=C(C=C4)F |
| InChIKey | NVGQLCGGLYRMMM-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00157531-02. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00157531-02. Following Lipinski's Rule of Five, AB00157531-02 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 AB00157531-02 is 1008921-15-0.
The molecular formula of AB00157531-02 is C20H18FN3O2S.
The molecular weight of AB00157531-02 is 383.11038 g/mol.
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