TL;DR: Ici 198615 (CAS 104448-53-5) is a chemical compound with molecular formula C28H28N4O6S and molecular weight 548.173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclopentyl N-[1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]indazol-6-yl]carbamate
Also Known As: Ici 198615, Ici-198,615, [3H]ICI198615, ZM-198,615, [3H]-ICI198615
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C28H28N4O6S |
| Molecular Weight | 548.173 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 548.173 Da |
| Heavy Atoms | 39 |
| Complexity | 946.0 |
| SMILES | COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)CN3C4=C(C=CC(=C4)NC(=O)OC5CCCC5)C=N3 |
| InChIKey | YRCPIXCRSAKRGM-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Ici 198615 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ici 198615. Following Lipinski's Rule of Five, Ici 198615 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ici 198615 is 104448-53-5.
The molecular formula of Ici 198615 is C28H28N4O6S.
The molecular weight of Ici 198615 is 548.173 g/mol.
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