TL;DR: C25H18Cl2N2O3S2 (CAS 1177915-37-5) is a chemical compound with molecular formula C25H18Cl2N2O3S2 and molecular weight 528.0136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,14-bis(4-chlorophenyl)-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: 7,10-bis(4-chlorophenyl)-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, 3,14-bis(4-chlorophenyl)-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, 7,10-bis(4-chlorophenyl)-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, C25H18Cl2N2O3S2
| Molecular Formula | C25H18Cl2N2O3S2 |
| Molecular Weight | 528.0136 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 528.0136 Da |
| Heavy Atoms | 34 |
| Complexity | 975.0 |
| SMILES | C1C2C3C(C1C4C2C(=O)N(C4=O)C5=CC=C(C=C5)Cl)SC6=C(C3C7=CC=C(C=C7)Cl)SC(=O)N6 |
| InChIKey | SZPKYMSJSMGNOG-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that C25H18Cl2N2O3S2 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 C25H18Cl2N2O3S2. Following Lipinski's Rule of Five, C25H18Cl2N2O3S2 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C25H18Cl2N2O3S2 is 1177915-37-5.
The molecular formula of C25H18Cl2N2O3S2 is C25H18Cl2N2O3S2.
The molecular weight of C25H18Cl2N2O3S2 is 528.0136 g/mol.
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