TL;DR: 3-(4-fluorophenoxy)-5-[(2-methoxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one (CAS 903856-92-8) is a chemical compound with molecular formula C23H17FN2O4 and molecular weight 404.11725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-(4-fluorophenoxy)-10-(2-methoxyethylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
Also Known As: AO-022/43453109, 3-(4-fluorophenoxy)-5-[(2-methoxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one, 3-(4-fluorophenoxy)-5-((2-methoxyethyl)amino)-6H-anthra[1,9-cd]isoxazol-6-one, 12-(4-fluorophenoxy)-10-(2-methoxyethylamino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one, 3-(4-fluorophenoxy)-5-[(2-methoxyethyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
| Molecular Formula | C23H17FN2O4 |
| Molecular Weight | 404.11725 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.11725 Da |
| Heavy Atoms | 30 |
| Complexity | 614.0 |
| SMILES | COCCNC1=C2C3=C(C4=CC=CC=C4C2=O)ON=C3C(=C1)OC5=CC=C(C=C5)F |
| InChIKey | XVCXHTALYFVSRU-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 3-(4-fluorophenoxy)-5-[(2-methoxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluorophenoxy)-5-[(2-methoxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one. Following Lipinski's Rule of Five, 3-(4-fluorophenoxy)-5-[(2-methoxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-fluorophenoxy)-5-[(2-methoxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one is 903856-92-8.
The molecular formula of 3-(4-fluorophenoxy)-5-[(2-methoxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one is C23H17FN2O4.
The molecular weight of 3-(4-fluorophenoxy)-5-[(2-methoxyethyl)amino]-6H-anthra[1,9-cd]isoxazol-6-one is 404.11725 g/mol.
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