TL;DR: RefChem:221097 (CAS 13073-17-1) is a chemical compound with molecular formula C34H48N4O2 and molecular weight 544.37775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(14-acetyl-7,16-diphenyl-1,5,10,14-tetrazatricyclo[14.2.2.27,10]docosan-5-yl)ethanone
Also Known As: I.S. 3359, 1,5,10,14-Tetraazatricyclo(14.2.2.2(sup 7,10))docosane, 5,14-diacetyl-7,16-diphenyl-, 3,12-Diacetil-1,10-difenil-3,7,12,16-tetraazatriciclo(14,2,2,2(sup 7,10))docosano [Italian], 5,14-Diacetyl-7,16-diphenyl-1,5,10,14-tetraazatricyclo(14.2.2.2(sup 7,10))docosane, 3,12-Diacetil-1,10-difenil-3,7,12,16-tetraazatriciclo(14,2,2,2(sup 7,10))docosano
| Molecular Formula | C34H48N4O2 |
| Molecular Weight | 544.37775 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 47.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 544.37775 Da |
| Heavy Atoms | 40 |
| Complexity | 750.0 |
| SMILES | CC(=O)N1CCCN2CCC(CC2)(CN(CCCN3CCC(C1)(CC3)C4=CC=CC=C4)C(=O)C)C5=CC=CC=C5 |
| InChIKey | CCUDVEANUNTZKL-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that RefChem:221097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.1 Ų, RefChem:221097 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:221097 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:221097 is 13073-17-1.
The molecular formula of RefChem:221097 is C34H48N4O2.
The molecular weight of RefChem:221097 is 544.37775 g/mol.
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