TL;DR: Axinastatin 2 (CAS 153723-34-3) is a chemical compound with molecular formula C39H58N8O8 and molecular weight 766.43774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3S,6R,9S,15S,18S,21S,24S)-21-benzyl-15-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-6,18-di(propan-2-yl)-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide
Also Known As: Axinastatin 2, Axinastatin 1, 5-L-leucine-, Cyclo(pro-val-asn-pro-phe-val-leu), 2-[(3S,6R,9S,15S,18S,21S,24S)-21-Benzyl-15-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-6,18-di(propan-2-yl)-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-3-yl]acetamide, [(6S,9S,12S,14aS,20S,23R,25aS)-12-Benzyl-8,11,14,22,25-pentahydroxy-6-(2-methylpropyl)-5,19-dioxo-9,23-di(propan-2-yl)-2,3,5,6,9,12,14a,15,16,17,19,20,23,25a-tetradecahydro-1H-dipyrrolo[1,2-a:1',2'-j][1,4,7,10,13,16,19]heptaazacyclohenicosin-20-yl]ethanimidic acid
| Molecular Formula | C39H58N8O8 |
| Molecular Weight | 766.43774 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 229.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 766.43774 Da |
| Heavy Atoms | 55 |
| Complexity | 1450.0 |
| SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC4=CC=CC=C4)CC(=O)N)C(C)C |
| InChIKey | OXNAATCTZCSVKR-AVGVIDKOSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Axinastatin 2. The TPSA of 229.0 Ų indicates high polarity, suggesting Axinastatin 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Axinastatin 2 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Axinastatin 2 is 153723-34-3.
The molecular formula of Axinastatin 2 is C39H58N8O8.
The molecular weight of Axinastatin 2 is 766.43774 g/mol.
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