TL;DR: C23H17FN2O3S3 (CAS 1212418-39-7) is a chemical compound with molecular formula C23H17FN2O3S3 and molecular weight 484.03854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-(4-fluorophenyl)-9-thiophen-2-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione
Also Known As: (4aR,5R,5aR,8aR,9S)-7-(4-fluorophenyl)-10-(thiophen-2-yl)-5,5a,8a,9,9a,10-hexahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(3H,4aH,7H)-trione, 14-(4-fluorophenyl)-3-(2-thienyl)-5,9-dithia-7,14-diazapentacyclo[9.5.1.0<2,10 >.0<4,8>.0<12,16>]heptadec-4(8)-ene-6,13,15-trione, 7-(4-FLUOROPHENYL)-10-(2-THIENYL)-3,4A,5,5A,8A,9,9A,10-OCTAHYDRO-5,9-METHANO[1,3]THIAZOLO[5',4':5,6]THIOPYRANO[2,3-F]ISOINDOLE-2,6,8(7H)-TRIONE, 7-(4-fluorophenyl)-10-(thiophen-2-yl)-3,4a,5,5a,8a,9,9a,10-octahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-2,6,8(7H)-trione, C23H17FN2O3S3
| Molecular Formula | C23H17FN2O3S3 |
| Molecular Weight | 484.03854 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 484.03854 Da |
| Heavy Atoms | 32 |
| Complexity | 935.0 |
| SMILES | C1C2C3C(C1C4C2C(=O)N(C4=O)C5=CC=C(C=C5)F)SC6=C(C3C7=CC=CS7)SC(=O)N6 |
| InChIKey | CXWXJQNYQRSNIU-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that C23H17FN2O3S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting C23H17FN2O3S3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C23H17FN2O3S3 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 C23H17FN2O3S3 is 1212418-39-7.
The molecular formula of C23H17FN2O3S3 is C23H17FN2O3S3.
The molecular weight of C23H17FN2O3S3 is 484.03854 g/mol.
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