TL;DR: BAS 00334657 (CAS 162710-42-1) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,14-dimethyl-3,12-diazatetracyclo[10.3.1.13,14.05,10]heptadeca-5,7,9-triene-4,11,15-trione
Also Known As: BAS 00334657, BIM-0011540.P001, AB00076453-01, AE-848/31945035, 1,10-dimethyl-3,8-diaza-5,6-benzotricyclo[6.3.1.1~3,10~]tridec-5-ene-4,7,11-trione
| Molecular Formula | C17H18N2O3 |
| Molecular Weight | 298.13174 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.13174 Da |
| Heavy Atoms | 22 |
| Complexity | 510.0 |
| SMILES | CC12CN3CC(C1=O)(CN(C2)C(=O)C4=CC=CC=C4C3=O)C |
| InChIKey | WBNSAIACXDIXGW-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00334657. With a topological polar surface area (TPSA) of 57.7 Ų, BAS 00334657 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00334657 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 00334657 is 162710-42-1.
The molecular formula of BAS 00334657 is C17H18N2O3.
The molecular weight of BAS 00334657 is 298.13174 g/mol.
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