TL;DR: F1734-0013 (CAS 1212189-53-1) is a chemical compound with molecular formula C26H22N2O3S2 and molecular weight 474.10718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
14-(4-methylphenyl)-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: F1734-0013, 14-(4-methylphenyl)-9-phenyl-3,7-dithia-5,14-diazapentacyclo[9.5.1.0^{2,10}.0^{4,8}.0^{12,16}]heptadec-4(8)-ene-6,13,15-trione, (4aR,5R,5aR,8aR,9S)-10-phenyl-7-(p-tolyl)-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-methylphenyl)-3-phenyl-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, 14-(4-methylphenyl)-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
| Molecular Formula | C26H22N2O3S2 |
| Molecular Weight | 474.10718 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 474.10718 Da |
| Heavy Atoms | 33 |
| Complexity | 936.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4C(C6=C(S5)NC(=O)S6)C7=CC=CC=C7 |
| InChIKey | YSRSVZLQFZSWCP-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that F1734-0013 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 F1734-0013. Following Lipinski's Rule of Five, F1734-0013 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 F1734-0013 is 1212189-53-1.
The molecular formula of F1734-0013 is C26H22N2O3S2.
The molecular weight of F1734-0013 is 474.10718 g/mol.
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