TL;DR: Acea 1011 (CAS 153504-72-4) is a chemical compound with molecular formula C9H4ClF3N2O2 and molecular weight 263.99133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
Also Known As: Acea 1011, 5-Chloro-7-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione, 5-chloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione, SID:134224561, 5-Chloro-1,4-dihydro-7-(trifluoromethyl)-2,3-quinoxalinedione
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H4ClF3N2O2 |
| Molecular Weight | 263.99133 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.99133 Da |
| Heavy Atoms | 17 |
| Complexity | 361.0 |
| SMILES | C1=C(C=C(C2=C1NC(=O)C(=O)N2)Cl)C(F)(F)F |
| InChIKey | JDCKMCIQUXTYQI-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acea 1011. With a topological polar surface area (TPSA) of 58.2 Ų, Acea 1011 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acea 1011 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 Acea 1011 is 153504-72-4.
The molecular formula of Acea 1011 is C9H4ClF3N2O2.
The molecular weight of Acea 1011 is 263.99133 g/mol.
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