TL;DR: 7-(4-chlorophenyl)-10-phenyl-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 (CAS 1212123-25-5) is a chemical compound with molecular formula C25H19ClN2O3S2 and molecular weight 494.05255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-(4-chlorophenyl)-9-phenyl-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: 7-(4-chlorophenyl)-10-phenyl-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-chlorophenyl)-10-phenyl-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
| Molecular Formula | C25H19ClN2O3S2 |
| Molecular Weight | 494.05255 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 494.05255 Da |
| Heavy Atoms | 33 |
| Complexity | 942.0 |
| SMILES | C1C2C3C(C1C4C2C(=O)N(C4=O)C5=CC=C(C=C5)Cl)SC6=C(C3C7=CC=CC=C7)SC(=O)N6 |
| InChIKey | CXWVTULAIIYZCI-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 7-(4-chlorophenyl)-10-phenyl-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 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-chlorophenyl)-10-phenyl-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. Following Lipinski's Rule of Five, 7-(4-chlorophenyl)-10-phenyl-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 has 1 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 7-(4-chlorophenyl)-10-phenyl-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 is 1212123-25-5.
The molecular formula of 7-(4-chlorophenyl)-10-phenyl-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 is C25H19ClN2O3S2.
The molecular weight of 7-(4-chlorophenyl)-10-phenyl-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 is 494.05255 g/mol.
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