TL;DR: ethyl 2-{9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl}acetate (CAS 116989-57-2) is a chemical compound with molecular formula C18H14ClN3O2 and molecular weight 339.07745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)acetate
Also Known As: CBKinase1_005435, CBKinase1_017835, IFLab1_006120, IFLab2_000217, IDI1_019243
| Molecular Formula | C18H14ClN3O2 |
| Molecular Weight | 339.07745 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.07745 Da |
| Heavy Atoms | 24 |
| Complexity | 477.0 |
| SMILES | CCOC(=O)CN1C2=C(C=C(C=C2)Cl)C3=NC4=CC=CC=C4N=C31 |
| InChIKey | PBOCXDIEYCAEGS-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that ethyl 2-{9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, ethyl 2-{9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-{9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl}acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 2-{9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl}acetate is 116989-57-2.
The molecular formula of ethyl 2-{9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl}acetate is C18H14ClN3O2.
The molecular weight of ethyl 2-{9-chloro-6H-indolo[2,3-b]quinoxalin-6-yl}acetate is 339.07745 g/mol.
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