TL;DR: Cyclosomatostatin (CAS 84211-54-1) is a chemical compound with molecular formula C44H57N7O6 and molecular weight 779.437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,6S,9R,12S)-6-(4-aminobutyl)-12-benzyl-9-(1H-indol-3-ylmethyl)-3-[(1R)-1-phenylmethoxyethyl]-1,4,7,10,13-pentazacycloicosane-2,5,8,11,14-pentone
Also Known As: Cyclosomatostatin, CyCam, Antagonist srif-A, cyclo-SOMATOSTATIN, CPP1
| Molecular Formula | C44H57N7O6 |
| Molecular Weight | 779.437 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 779.437 Da |
| Heavy Atoms | 57 |
| Complexity | 1270.0 |
| SMILES | C[C@H]([C@H]1C(=O)NCCCCCCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)OCC5=CC=CC=C5 |
| InChIKey | YHVHQZYJGWGAKN-ZUWUZHNASA-N |
The XLogP value of 4.3 indicates that Cyclosomatostatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting Cyclosomatostatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclosomatostatin has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cyclosomatostatin is 84211-54-1.
The molecular formula of Cyclosomatostatin is C44H57N7O6.
The molecular weight of Cyclosomatostatin is 779.437 g/mol.
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